4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid

C22H20O5 — CID 11439916

IUPAC4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
SMILESCOc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)16-6-4-14(5-7-16)15-8-10-17(11-9-15)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyWLORPMJSHOIBGD-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.74
Rot. Bonds6

About 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid

4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid (PubChem CID 11439916) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
PubChem CID11439916
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
SMILESCOc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc(OC)c1OC
InChIInChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)16-6-4-14(5-7-16)15-8-10-17(11-9-15)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyWLORPMJSHOIBGD-UHFFFAOYSA-N
XLogP4.74
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic 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-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
4-[5-[3,5-bis(4-carboxyphenyl)-4-methoxyphenyl]-3-(4-carboxyphenyl)-2-methoxyphenyl]benzoic acid
CID 132537880
zinc 4-[10,15,20-tris(3,4,5-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 58019362
5-(4-fluorophenyl)-1,2,3-trimethoxybenzene
CID 45156545
[4-[[4-[[4-[4-(3,4,5-trimethoxyphenyl)benzoyl]piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-[4-(3,4,5-trimethoxyphenyl)phenyl]methanone
CID 15491077
4-[2-[3-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]ethyl]benzoic acid
CID 171715341
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
4-[4-[(E)-2-(4-methoxy-2,3,6-trimethylphenyl)ethenyl]phenyl]benzoic acid
CID 84820412
3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
CID 69110649
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid (CID 11439916) is 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid is COc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc(OC)c1OC.
What is the InChIKey of 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The InChIKey is WLORPMJSHOIBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)16-6-4-14(5-7-16)15-8-10-17(11-9-15)22(23)24/h4-13H,1-3H3,(H,23,24).
What are the key properties of 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid has a molecular weight of 364.40 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 11439916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).