methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate

C15H13ClO3 — CID 102035731

IUPACmethyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1c(O)cc(C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-9-7-12(10-3-5-11(16)6-4-10)14(13(17)8-9)15(18)19-2/h3-8,17H,1-2H3
InChIKeyVQZUKGGSILQMIA-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.81
Rot. Bonds2

About methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate

methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate (PubChem CID 102035731) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
PubChem CID102035731
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Namemethyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate
SMILESCOC(=O)c1c(O)cc(C)cc1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c1-9-7-12(10-3-5-11(16)6-4-10)14(13(17)8-9)15(18)19-2/h3-8,17H,1-2H3
InChIKeyVQZUKGGSILQMIA-UHFFFAOYSA-N
XLogP3.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-4,6-dimethylbenzoate;methyl 2,4,6-trimethylbenzoate
CID 161420499
methyl 4-(4-chlorophenyl)-3-methylbenzoate
CID 58610225
methyl 2-[chloro(difluoro)methyl]-6-hydroxy-4-methylbenzoate
CID 102451422
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147
methyl 2-cyano-6-hydroxy-4-methylbenzoate
CID 130822835
dimethyl 2-(4-chlorophenyl)furan-3,4-dicarboxylate
CID 11770872
methyl 2-[[2-(4-chlorophenyl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 4556443
methyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 122364002
dimethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-6-oxopyridine-2,3-dicarboxylate
CID 177492677
methyl 2-(4-acetylphenyl)-6-hydroxybenzoate
CID 102434886
methyl 2-[(5-chloro-2-methoxybenzoyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 1222700
methyl 2-[(4-chlorobenzoyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 2241779

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate?
The IUPAC name of methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate (CID 102035731) is methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate is COC(=O)c1c(O)cc(C)cc1-c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate?
The InChIKey is VQZUKGGSILQMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c1-9-7-12(10-3-5-11(16)6-4-10)14(13(17)8-9)15(18)19-2/h3-8,17H,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate?
methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate has a molecular weight of 276.72 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-6-hydroxy-4-methylbenzoate is sourced from PubChem (CID 102035731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).