(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate

C16H16O3 — CID 7840399

IUPAC(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1ccc(COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C16H16O3/c1-11-6-8-13(9-7-11)10-19-16(18)14-5-3-4-12(2)15(14)17/h3-9,17H,10H2,1-2H3
InChIKeyDQCXFYAYZRKXJL-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.37
Rot. Bonds3

About (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate

(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate (PubChem CID 7840399) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Name(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
PubChem CID7840399
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate
SMILESCc1ccc(COC(=O)c2cccc(C)c2O)cc1
InChIInChI=1S/C16H16O3/c1-11-6-8-13(9-7-11)10-19-16(18)14-5-3-4-12(2)15(14)17/h3-9,17H,10H2,1-2H3
InChIKeyDQCXFYAYZRKXJL-UHFFFAOYSA-N
XLogP3.37
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylsulfanylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578471
(4-methoxycarbonylphenyl)methyl 2-hydroxy-3-methylbenzoate
CID 894592
(3-chlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 7840599
(2,6-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 925965
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
[2-(4-methylanilino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578244
(4-methylphenyl)methyl 2-amino-6-methylbenzoate
CID 61321736
2-phenylethyl 2-hydroxy-3-methylbenzoate
CID 15349136
2-trimethylsilylethyl 2-hydroxy-3-methylbenzoate
CID 158104878
(4-methylphenyl)methyl 2-ethylsulfonylbenzoate
CID 8855768
(2,4-dichlorophenyl)methyl 2-hydroxy-3-methylbenzoate
CID 2578182
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The IUPAC name of (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate (CID 7840399) is (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate.
What is the SMILES notation for (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The canonical SMILES for (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate is Cc1ccc(COC(=O)c2cccc(C)c2O)cc1.
What is the InChIKey of (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate?
The InChIKey is DQCXFYAYZRKXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-6-8-13(9-7-11)10-19-16(18)14-5-3-4-12(2)15(14)17/h3-9,17H,10H2,1-2H3.
What are the key properties of (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate?
(4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate has a molecular weight of 256.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl 2-hydroxy-3-methylbenzoate is sourced from PubChem (CID 7840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).