(2,3-dimethylphenyl)methyl 2-hydroxybenzoate

C16H16O3 — CID 175168721

IUPAC(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2ccccc2O)c1C
InChIInChI=1S/C16H16O3/c1-11-6-5-7-13(12(11)2)10-19-16(18)14-8-3-4-9-15(14)17/h3-9,17H,10H2,1-2H3
InChIKeySDWQIPWRCMICSG-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.37
Rot. Bonds3

About (2,3-dimethylphenyl)methyl 2-hydroxybenzoate

(2,3-dimethylphenyl)methyl 2-hydroxybenzoate (PubChem CID 175168721) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is (2,3-dimethylphenyl)methyl 2-hydroxybenzoate.

Molecular Properties

Compound Name(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
PubChem CID175168721
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name(2,3-dimethylphenyl)methyl 2-hydroxybenzoate
SMILESCc1cccc(COC(=O)c2ccccc2O)c1C
InChIInChI=1S/C16H16O3/c1-11-6-5-7-13(12(11)2)10-19-16(18)14-8-3-4-9-15(14)17/h3-9,17H,10H2,1-2H3
InChIKeySDWQIPWRCMICSG-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-hydroxy-2-methyl-5-propan-2-ylphenyl)methyl 2-hydroxybenzoate
CID 57116574
(2,3-dimethylphenyl)methyl butanoate
CID 71330458
ethyl 2-hydroxybenzoate;formaldehyde
CID 158790120
(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
(4-phenylphenyl)methyl 2,3-dimethylbenzoate
CID 7765271
aminomethyl 2,3-dimethylbenzoate
CID 66871801
ethane;(2-hydroxybenzoyl)oxymethyl 2-hydroxybenzoate;methane
CID 159507892
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
pyridin-2-ylmethyl 2-hydroxybenzoate
CID 43053918
(2-chlorophenyl)methyl 2-hydroxy-4-methylbenzoate
CID 2611649
bis[[2-(2-methylpropyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 66626911
(3-hydroxy-2-methylphenyl)methyl propanoate
CID 175764363

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)methyl 2-hydroxybenzoate?
The IUPAC name of (2,3-dimethylphenyl)methyl 2-hydroxybenzoate (CID 175168721) is (2,3-dimethylphenyl)methyl 2-hydroxybenzoate.
What is the SMILES notation for (2,3-dimethylphenyl)methyl 2-hydroxybenzoate?
The canonical SMILES for (2,3-dimethylphenyl)methyl 2-hydroxybenzoate is Cc1cccc(COC(=O)c2ccccc2O)c1C.
What is the InChIKey of (2,3-dimethylphenyl)methyl 2-hydroxybenzoate?
The InChIKey is SDWQIPWRCMICSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11-6-5-7-13(12(11)2)10-19-16(18)14-8-3-4-9-15(14)17/h3-9,17H,10H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)methyl 2-hydroxybenzoate?
(2,3-dimethylphenyl)methyl 2-hydroxybenzoate 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 (2,3-dimethylphenyl)methyl 2-hydroxybenzoate is sourced from PubChem (CID 175168721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).