4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid

C17H16O5 — CID 102584485

IUPAC4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16O5/c1-10(18)11-4-6-12(7-5-11)16-14(21-2)8-13(17(19)20)9-15(16)22-3/h4-9H,1-3H3,(H,19,20)
InChIKeyIOQZCTDUTUCTOY-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.27
Rot. Bonds5

About 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid

4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid (PubChem CID 102584485) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid.

Molecular Properties

Compound Name4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
PubChem CID102584485
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(OC)c1-c1ccc(C(C)=O)cc1
InChIInChI=1S/C17H16O5/c1-10(18)11-4-6-12(7-5-11)16-14(21-2)8-13(17(19)20)9-15(16)22-3/h4-9H,1-3H3,(H,19,20)
InChIKeyIOQZCTDUTUCTOY-UHFFFAOYSA-N
XLogP3.27
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid 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

4-(3,4-dichlorophenyl)-3,5-dimethoxybenzoic acid
CID 16768707
3-methoxy-4-(4-methoxyphenyl)-5-methylbenzoic acid
CID 54447835
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
3,5-dimethoxy-4-(1H-pyrazol-4-yl)benzoic acid
CID 122560425
3-(2,6-dimethoxyphenyl)-5-methylbenzoic acid
CID 116810858
4-acetyl(11C)benzoic acid
CID 11205952
3,4-dimethoxybenzoic acid;methanol
CID 144580050
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
4-hydroxy-3,5-dimethoxybenzoic acid;hydrochloride
CID 162316978
4-carboxy-2,6-dimethoxyphenolate
CID 54694262

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid?
The IUPAC name of 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid (CID 102584485) is 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid.
What is the SMILES notation for 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid?
The canonical SMILES for 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid is COc1cc(C(=O)O)cc(OC)c1-c1ccc(C(C)=O)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid?
The InChIKey is IOQZCTDUTUCTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-10(18)11-4-6-12(7-5-11)16-14(21-2)8-13(17(19)20)9-15(16)22-3/h4-9H,1-3H3,(H,19,20).
What are the key properties of 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid?
4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-3,5-dimethoxybenzoic acid is sourced from PubChem (CID 102584485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).