Compound: 4-methylumbelliferone
SMILES: O=c1oc2c(ccc(c2)O)c(c1)C
InChIKey: HSHNITRMYYLLCV-UHFFFAOYSA-N
Synonyms: 4-methylumbelliferone, Hymecromone, 90-33-5, 7-Hydroxy-4-methyl-2H-chromen-2-one, Imecromone, Cantabiline, Crodimon, Cholonerton, Hymecromon, Himecromona, Hymecromonum, Resocyanine, 2H-1-Benzopyran-2-one, 7-hydroxy-4-methyl-, 7-Hydroxy-4-methyl-2H-1-benzopyran-2-one, 7-Hydroxy-4-methyl-2-oxo-2H-1-benzopyran, 7-hydroxy-4-methylchromen-2-one, LM-94, 7-hydroxy-4-methyl-coumarin, 7-Hydroxy-4-methyl-2-oxo-3-chromene, NSC-9408, NSC-19026, 4 Methylumbelliferone, DTXSID8025670, 3T5NG4Q468, DTXCID805670, CHEBI:17224, Coumarin 456, Imechromone, Eurogae, RefChem:389056, 7 Hydroxy 4 methyl coumarin, A05AX02, 201-986-7, 7-HYDROXY-4-METHYLCOUMARIN, beta-Methylumbelliferone, 4-Methyl-7-hydroxycoumarin, Cholestil, Mendiaxon, Coumarin 4, 4-MU, Bilcolic, Bilicante, Cantabilin, Eurogale, Medilla, 4-Methylumbelliferon, Cumarote-C, Omega 127, Pilot 447, 79566-13-5, 7-hydroxy-4-methyl-chromen-2-one, LM 94, NSC 9408, MFCD00006866, NSC 19026, Coumarin, 7-hydroxy-4-methyl-, 2-Hydroxy-4-methyl-7H-1-benzopyran-7-one, 2H-1-Benzopyran, 7-hydroxy-4-methyl-2-oxo-, 2H-1-Benzopyren-2-one, 7-hydroxy-4-methyl-, 2-Hydroxy-4-methyl-7H-chromen-7-one, 4-Methylumbelliferone (4-MU), NSC9408, NSC19026, .beta.-Methylumbelliferone, 7-hydroxy-4-methyl coumarin, 4-Methyl-7-hydroxy-coumarin, CHEMBL12208, 7H-1-Benzopyran-7-one, 2-hydroxy-4-methyl-, CAS-90-33-5, NCGC00016345-01, Imecromone [DCIT], METHYLUMBELLIFERONE, BETA, WLN: T66 BOVJ E1 IQ, Cholspasmin, Hymechrome, Himecol, Hymecromonum [INN-Latin], Himecromona [INN-Spanish], SMR000471886, 4-Methylumbelliferon [Czech], CCRIS 5926, EINECS 201-986-7, BRN 0142217, Hymechromone, UNII-3T5NG4Q468, Cantabiline;, Hymecromone;, AI3-08085, Hymecromone CRS, Biliton H, Cantabiline (TN), Coumarin 4;, 4MU, Hymecromone [USAN:INN:BAN:JAN], ZZ1, ss-Methylumbelliferone, 4-methyl umbelliferone, 4-Methyl-umbelliferone, 4-Methylumbelliferone;, Coumarin derivative, 3b, Pilot 447;, HYMECROMONE [MI], Maybridge1_002078, Prestwick0_000901, Prestwick1_000901, Prestwick2_000901, Prestwick3_000901, HYMECROMONE [INN], HYMECROMONE [JAN], Umbelliferone, 4-methyl-, HYMECROMONE [USAN], Methylumbelliferone, .beta., 4-methyl-7-hydroxy-cumarin, HYMECROMONE [MART.], 4-methyl-7-hydroxy coumarin, SCHEMBL24150, BSPBio_000742, HYMECROMONE [WHO-DD], 5-18-01-00439 (Beilstein Handbook Reference), 7-hydroxy-4-methyl coumarine, MLS001074671, MLS004491718, SCHEMBL169915, 4-Methyl-7-hydroxyl Coumarin, SPBio_002941, BPBio1_000818, MEGxp0_001898, orb1308758, SCHEMBL4831773, SCHEMBL6385935, 7-hydroxy-4-methyl-2-coumarin, 4-Methylumbelliferone, >=98%, SCHEMBL27955965, SCHEMBL29364837, SCHEMBL30424058, ACon1_002401, cid_5280567, HMS547G10, HY-N0187R, Hymecromone (JP18/USAN/INN), 4-Methylumbelliferone (Standard), GLXC-10598, HMS1570F04, HMS2097F04, HMS2267L19, HMS3264E04, HMS3655L16, HMS3714F04, HMS5080K20, HYMECROMONE [EP MONOGRAPH], Pharmakon1600-01506174, ALBB-036660, HY-N0187, MSK10766, Tox21_110385, Tox21_300915, BBL000531, BDBM50022178, CCG-47894, EBC-13723, NSC760397, s2256, SBB009085, STK364326, 7-Hydroxy-4-methyl-2H-2-chromenone, AKOS000119370, Tox21_110385_1, CS-7560, DB07118, EM16008, FM00596, NSC-760397, 7-Hydroxy-4-methylcoumarin, Hymecromone, NCGC00016345-02, NCGC00016345-03, NCGC00016345-04, NCGC00016345-05, NCGC00016345-08, NCGC00016345-09, NCGC00169880-01, NCGC00169880-02, NCGC00257522-01, 2H-Chromen-2-one, 7-hydroxy-4-methyl-, 7-Hydroxy-4-methyl-2H-chromen-2-one #, AC-22306, AS-13247, NCI60_042099, SY017941, DB-029370, AB00443536, M0453, NS00010646, ST50102505, SW197287-3, EN300-16753, C03081, D00170, D70647, M-5410, M-5421, 7-Hydroxy-4-methylcoumarin|4-Methylumbelliferone, AB00443536_08, AE-848/01238044, F093391, Q904431, SR-01000637483, SR-01000637483-1, SR-01000637483-3, BRD-K46424862-001-02-6, BRD-K46424862-001-04-2, BRD-K46424862-001-14-1, BRD-K46424862-001-15-8, Z56763041, F0849-0318, F1918-0038
Theoretical properties:
molecular_formula: C10H8O3
molecular_weight: 176.17 g/mol
exact_mass: 176.047344113 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 1
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 0
heavy_atom_count: 13
topological_polar_surface_area: 46.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 381 to 383 °F (NTP, 1992)
solubility: Insoluble (NTP, 1992)
vapor_pressure: 0.00000724 [mmHg]
Descriptions:
pubchem: 4-methylumbelliferone is a hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4. It has a role as a hyaluronic acid synthesis inhibitor and an antineoplastic agent. It is functionally related to an umbelliferone.
chebi: A hydroxycoumarin that is umbelliferone substituted by a methyl group at position 4.
chembl: HYMECROMONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Hymecromone (4-methylumbelliferone) is a drug used in bile therapy. It is used as choleretic and antispasmodic drugs and as a standard for the fluorometric determination of enzyme activity.
Hymecromone is a crystalline solid with a melting point of 194–195 °C.  It is soluble in methanol and glacial acetic acid.