3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid

C15H20O4 — CID 141429039

IUPAC3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
SMILESCCCCc1c(OC)cc(C=CC(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-4-5-6-12-13(18-2)9-11(7-8-15(16)17)10-14(12)19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyQCSOXHUQJKPLQF-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.14
Rot. Bonds7

About 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid

3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid (PubChem CID 141429039) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
PubChem CID141429039
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid
SMILESCCCCc1c(OC)cc(C=CC(=O)O)cc1OC
InChIInChI=1S/C15H20O4/c1-4-5-6-12-13(18-2)9-11(7-8-15(16)17)10-14(12)19-3/h7-10H,4-6H2,1-3H3,(H,16,17)
InChIKeyQCSOXHUQJKPLQF-UHFFFAOYSA-N
XLogP3.14
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic 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

3-(4-decoxy-3,5-dimethoxyphenyl)prop-2-enoic acid
CID 85358629
(E)-3-[3,4-bis(hydroxymethyl)-5-methoxyphenyl]prop-2-enoic acid
CID 155606413
(E)-3-(3,5-dihexoxy-4-hydroxyphenyl)prop-2-enoic acid
CID 22024909
(E)-3-(4-methoxy-3-propoxyphenyl)prop-2-enoic acid
CID 20534154
3-(3-ethyl-2-hexyl-4-methoxyphenyl)prop-2-enoic acid
CID 66719904
3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 3717954
3-(3-bromo-4-ethoxy-5-methoxyphenyl)prop-2-enoic acid
CID 705633
(E)-3-(3-bromo-4-hydroxy-5-methoxyphenyl)prop-2-enoic acid
CID 735789
(Z)-3-(3-chloro-4,5-dimethoxyphenyl)prop-2-enoic acid
CID 2414113
4-(2-carboxyethenyl)-2-hydroxy-6-methoxyphenolate
CID 54725791
(E)-4-[4-(aminomethyl)-3-methoxy-5-methylphenyl]but-3-en-2-one
CID 142222256
(E)-3-(5-butoxy-4-methoxy-2-methylphenyl)prop-2-enoic acid
CID 121432751

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid?
The IUPAC name of 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid (CID 141429039) is 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid?
The canonical SMILES for 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid is CCCCc1c(OC)cc(C=CC(=O)O)cc1OC.
What is the InChIKey of 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid?
The InChIKey is QCSOXHUQJKPLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-4-5-6-12-13(18-2)9-11(7-8-15(16)17)10-14(12)19-3/h7-10H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid?
3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid has a molecular weight of 264.32 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-3,5-dimethoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 141429039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).