3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid

C20H22O6 — CID 69110649

IUPAC3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
SMILESCOCC=Cc1cc(C(=O)O)cc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H22O6/c1-23-7-5-6-13-8-14(10-16(9-13)20(21)22)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-6,8-12H,7H2,1-4H3,(H,21,22)
InChIKeyRSCDNBFKTNGVLF-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.74
Rot. Bonds8

About 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid

3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid (PubChem CID 69110649) has the molecular formula C20H22O6 and a molecular weight of 358.39 g/mol. Its IUPAC name is 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
PubChem CID69110649
Molecular FormulaC20H22O6
Molecular Weight358.39 g/mol
Exact Mass358.14
IUPAC Name3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid
SMILESCOCC=Cc1cc(C(=O)O)cc(-c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C20H22O6/c1-23-7-5-6-13-8-14(10-16(9-13)20(21)22)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-6,8-12H,7H2,1-4H3,(H,21,22)
InChIKeyRSCDNBFKTNGVLF-UHFFFAOYSA-N
XLogP3.74
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)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

N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-3-[(Z)-3-methoxyprop-1-enyl]-5-(3,4,5-trimethoxyphenyl)benzamide
CID 58832197
3-(3,4,5-trimethoxyphenyl)prop-2-enyl acetate
CID 162966956
4-[4-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11439916
methyl 3,5-bis[(E)-3-methoxyprop-1-enyl]benzoate
CID 57456870
3-(3-hydroxyprop-1-enyl)-5-methoxybenzoic acid
CID 169453816
[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl] (2S)-2-methylbutanoate
CID 163106733
3,4-dimethoxy-5-[2-[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoxy]phenoxy]benzoic acid
CID 23122384
3,5-bis[[(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoyl]amino]benzoic acid
CID 18518185
(2E,4E)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dienoic acid
CID 15257506
4-[3-(3,4,5-trimethoxyphenyl)phenyl]benzoic acid
CID 11462658
tert-butyl N-[3-(3,4,5-trimethoxyphenyl)prop-2-enyl]carbamate
CID 169468365
3-(cyanomethyl)-4,5-dimethoxybenzoic acid
CID 117315228

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The IUPAC name of 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid (CID 69110649) is 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The canonical SMILES for 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid is COCC=Cc1cc(C(=O)O)cc(-c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid?
The InChIKey is RSCDNBFKTNGVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O6/c1-23-7-5-6-13-8-14(10-16(9-13)20(21)22)15-11-17(24-2)19(26-4)18(12-15)25-3/h5-6,8-12H,7H2,1-4H3,(H,21,22).
What are the key properties of 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid?
3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid has a molecular weight of 358.39 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyprop-1-enyl)-5-(3,4,5-trimethoxyphenyl)benzoic acid is sourced from PubChem (CID 69110649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).