(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate

C15H13ClO3 — CID 2611649

IUPAC(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H13ClO3/c1-10-6-7-12(14(17)8-10)15(18)19-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyYMPPHYHAACWQCE-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.71
Rot. Bonds3

About (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate

(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate (PubChem CID 2611649) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Name(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
PubChem CID2611649
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2ccccc2Cl)c(O)c1
InChIInChI=1S/C15H13ClO3/c1-10-6-7-12(14(17)8-10)15(18)19-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3
InChIKeyYMPPHYHAACWQCE-UHFFFAOYSA-N
XLogP3.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-chlorophenyl)methyl 4-fluoro-2-methylbenzoate
CID 113400401
(2-chlorophenyl)methyl 2-amino-3-chlorobenzoate
CID 115279797
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-hydroxy-4-methylbenzoate
CID 4222789
(2-chlorophenyl)methyl 2-(methylamino)benzoate
CID 895057
(4-fluorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 7290825
(2-amino-2-oxoethyl) 2-hydroxy-4-methylbenzoate
CID 2469983
(2-methoxy-5-methylphenyl)methyl 2,4-dihydroxybenzoate
CID 8954351
(2-chlorophenyl)methyl 4-amino-3-hydroxybenzoate
CID 61277658
amino 2-hydroxy-4-methylbenzoate
CID 174368722
(2-methylphenyl)methyl 4-amino-2-chlorobenzoate
CID 61238994
1,3-benzothiazol-2-ylmethyl 2-hydroxy-4-methylbenzoate
CID 2611498
4-[(2-chlorophenyl)methoxy]-2-hydroxybenzoic acid
CID 91679064

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The IUPAC name of (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate (CID 2611649) is (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The canonical SMILES for (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate is Cc1ccc(C(=O)OCc2ccccc2Cl)c(O)c1.
What is the InChIKey of (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate?
The InChIKey is YMPPHYHAACWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-6-7-12(14(17)8-10)15(18)19-9-11-4-2-3-5-13(11)16/h2-8,17H,9H2,1H3.
What are the key properties of (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate?
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate has a molecular weight of 276.72 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 2611649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).