(3-methylphenyl)methyl 3-hydroxybenzoate

C15H14O3 — CID 44587285

IUPAC(3-methylphenyl)methyl 3-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-15(17)13-6-3-7-14(16)9-13/h2-9,16H,10H2,1H3
InChIKeyQHEXQUDRRDUIRV-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.06
Rot. Bonds3

About (3-methylphenyl)methyl 3-hydroxybenzoate

(3-methylphenyl)methyl 3-hydroxybenzoate (PubChem CID 44587285) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is (3-methylphenyl)methyl 3-hydroxybenzoate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 3-hydroxybenzoate
PubChem CID44587285
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name(3-methylphenyl)methyl 3-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2cccc(O)c2)c1
InChIInChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-15(17)13-6-3-7-14(16)9-13/h2-9,16H,10H2,1H3
InChIKeyQHEXQUDRRDUIRV-UHFFFAOYSA-N
XLogP3.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-hydroxybenzoate
CID 11736317
naphthalen-2-ylmethyl 3-methylbenzoate
CID 976134
methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
2-(3-methylbenzoyl)oxyethyl 3-methylbenzoate
CID 23185550
(4-tert-butyl-2,6-dimethylphenyl)methyl 3-hydroxybenzoate
CID 23850196
(3-methylphenyl)methyl 3-(1,3-thiazol-4-ylmethoxy)benzoate
CID 55451662
(4-cyanophenyl)methyl 3-methylbenzoate
CID 2563042
(3-methylphenyl)methyl 6-methoxypyridine-3-carboxylate
CID 55443929
hydroxymethyl 3-methylbenzoate
CID 54320661
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 3-hydroxybenzoate?
The IUPAC name of (3-methylphenyl)methyl 3-hydroxybenzoate (CID 44587285) is (3-methylphenyl)methyl 3-hydroxybenzoate.
What is the SMILES notation for (3-methylphenyl)methyl 3-hydroxybenzoate?
The canonical SMILES for (3-methylphenyl)methyl 3-hydroxybenzoate is Cc1cccc(COC(=O)c2cccc(O)c2)c1.
What is the InChIKey of (3-methylphenyl)methyl 3-hydroxybenzoate?
The InChIKey is QHEXQUDRRDUIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-11-4-2-5-12(8-11)10-18-15(17)13-6-3-7-14(16)9-13/h2-9,16H,10H2,1H3.
What are the key properties of (3-methylphenyl)methyl 3-hydroxybenzoate?
(3-methylphenyl)methyl 3-hydroxybenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 3-hydroxybenzoate is sourced from PubChem (CID 44587285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).