Molecule ID: 347991

IUPAC Name: naphthalen-2-yl butanoate

Description: The molecule is a butyrate ester obtained by formal condensation of the carboxy group of butyric acid with the hydroxy group of 2-naphthol. It has a role as a chromogenic compound. It is a member of naphthalenes, a butyrate ester and an aromatic ester. It derives from a 2-naphthol.

SMILES: CCCC(=O)Oc1ccc2ccccc2c1

SELFIES: [C][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]

InChI: InChI=1S/C14H14O2/c1-2-5-14(15)16-13-9-8-11-6-3-4-7-12(11)10-13/h3-4,6-10H,2,5H2,1H3

Molecular Properties:
- Polar Surface Area: 26.3 Ų
- LogP: 3.6