(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate

C15H13ClO3 — CID 7840599

IUPAC(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cccc(Cl)c2)c1O
InChIInChI=1S/C15H13ClO3/c1-10-4-2-7-13(14(10)17)15(18)19-9-11-5-3-6-12(16)8-11/h2-8,17H,9H2,1H3
InChIKeyWJVROQDVRRGJDB-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.71
Rot. Bonds3

About (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate

(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate (PubChem CID 7840599) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
PubChem CID7840599
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1cccc(C(=O)OCc2cccc(Cl)c2)c1O
InChIInChI=1S/C15H13ClO3/c1-10-4-2-7-13(14(10)17)15(18)19-9-11-5-3-6-12(16)8-11/h2-8,17H,9H2,1H3
InChIKeyWJVROQDVRRGJDB-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

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Related Compounds

(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840399
(3-chlorophenyl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 16518238
(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(3-chlorophenyl)methyl 4-fluoro-3-methylbenzoate
CID 65124799
(3-chlorophenyl)methyl 4-amino-3-methylbenzoate
CID 61320679
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
(3-chlorophenyl)methyl 4-chloropyridine-3-carboxylate
CID 115885965
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 7416496

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate (CID 7840599) is (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate is Cc1cccc(C(=O)OCc2cccc(Cl)c2)c1O.
What is the InChIKey of (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is WJVROQDVRRGJDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-10-4-2-7-13(14(10)17)15(18)19-9-11-5-3-6-12(16)8-11/h2-8,17H,9H2,1H3.
What are the key properties of (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate?
(3-chlorophenyl)methyl 2-hydroxy-3-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 (3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7840599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).