methyl 2-(4-acetylphenyl)-6-hydroxybenzoate

C16H14O4 — CID 102434886

IUPACmethyl 2-(4-acetylphenyl)-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H14O4/c1-10(17)11-6-8-12(9-7-11)13-4-3-5-14(18)15(13)16(19)20-2/h3-9,18H,1-2H3
InChIKeyIRBGHMFFJRNMLH-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.05
Rot. Bonds3

About methyl 2-(4-acetylphenyl)-6-hydroxybenzoate

methyl 2-(4-acetylphenyl)-6-hydroxybenzoate (PubChem CID 102434886) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is methyl 2-(4-acetylphenyl)-6-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-(4-acetylphenyl)-6-hydroxybenzoate
PubChem CID102434886
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Namemethyl 2-(4-acetylphenyl)-6-hydroxybenzoate
SMILESCOC(=O)c1c(O)cccc1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C16H14O4/c1-10(17)11-6-8-12(9-7-11)13-4-3-5-14(18)15(13)16(19)20-2/h3-9,18H,1-2H3
InChIKeyIRBGHMFFJRNMLH-UHFFFAOYSA-N
XLogP3.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-acetylphenyl)-6-hydroxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
1-[4-[2-[4-[2-(4-acetylphenyl)phenyl]phenyl]phenyl]phenyl]ethanone
CID 25259117
methyl 2-(4-methylphenyl)-6-sulfanylbenzoate
CID 102144462
methyl 4-[4-[4-(4-acetylphenyl)benzoyl]oxycarbonylphenyl]benzoate
CID 171057424
1-[4-[4-(2-methoxyphenyl)phenyl]phenyl]ethanone
CID 23629162
methyl 2-hydroxy-6-thiophen-2-ylbenzoate
CID 15679686
methyl 2-bromo-6-phenylbenzoate
CID 13352656
1-[4-(2-acetylphenyl)phenyl]ethanone
CID 11207145
methyl 5-(4-acetylphenyl)-2,4-dimethylfuran-3-carboxylate
CID 11380259
methyl 2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]benzoate
CID 134623083
1-[4-[2-(chloromethyl)phenyl]phenyl]ethanone
CID 135075910
methyl 3-acetylbenzoate
CID 15094405

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetylphenyl)-6-hydroxybenzoate?
The IUPAC name of methyl 2-(4-acetylphenyl)-6-hydroxybenzoate (CID 102434886) is methyl 2-(4-acetylphenyl)-6-hydroxybenzoate.
What is the SMILES notation for methyl 2-(4-acetylphenyl)-6-hydroxybenzoate?
The canonical SMILES for methyl 2-(4-acetylphenyl)-6-hydroxybenzoate is COC(=O)c1c(O)cccc1-c1ccc(C(C)=O)cc1.
What is the InChIKey of methyl 2-(4-acetylphenyl)-6-hydroxybenzoate?
The InChIKey is IRBGHMFFJRNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-10(17)11-6-8-12(9-7-11)13-4-3-5-14(18)15(13)16(19)20-2/h3-9,18H,1-2H3.
What are the key properties of methyl 2-(4-acetylphenyl)-6-hydroxybenzoate?
methyl 2-(4-acetylphenyl)-6-hydroxybenzoate has a molecular weight of 270.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetylphenyl)-6-hydroxybenzoate is sourced from PubChem (CID 102434886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).