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

C22H20O5 — CID 11462658

IUPAC4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
SMILESCOc1cc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)17-6-4-5-16(11-17)14-7-9-15(10-8-14)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyLUEKSFYIFDMJTJ-UHFFFAOYSA-N
MW364.40 g/mol
LogP4.74
Rot. Bonds6

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

4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid (PubChem CID 11462658) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
PubChem CID11462658
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
SMILESCOc1cc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc(OC)c1OC
InChIInChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)17-6-4-5-16(11-17)14-7-9-15(10-8-14)22(23)24/h4-13H,1-3H3,(H,23,24)
InChIKeyLUEKSFYIFDMJTJ-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

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Related Compounds

4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
3-(3-methoxy-4-methylphenyl)benzoic acid
CID 53216637
4-[5-[3,5-bis(4-carboxyphenyl)-4-methoxyphenyl]-3-(4-carboxyphenyl)-2-methoxyphenyl]benzoic acid
CID 132537880
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
3-(4-carboxyphenyl)benzoic acid
CID 11550488
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
methyl 2-phenylazulene-6-carboxylate
CID 23257786
2,3-dimethoxy-5-phenylphenol
CID 135042969
zinc 4-[10,15,20-tris(3,4,5-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 58019362
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The IUPAC name of 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid (CID 11462658) is 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid.
What is the SMILES notation for 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The canonical SMILES for 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid is COc1cc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc(OC)c1OC.
What is the InChIKey of 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
The InChIKey is LUEKSFYIFDMJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O5/c1-25-19-12-18(13-20(26-2)21(19)27-3)17-6-4-5-16(11-17)14-7-9-15(10-8-14)22(23)24/h4-13H,1-3H3,(H,23,24).
What are the key properties of 4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid?
4-[3-(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-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid is sourced from PubChem (CID 11462658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).