(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid

C18H18O4 — CID 19421560

IUPAC(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\C(=O)O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)15(11-18(19)20)14-7-8-16(21-2)17(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b15-11-
InChIKeyCPHZEAUBDJNFOX-PTNGSMBKSA-N
MW298.34 g/mol
LogP3.53
Rot. Bonds5

About (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid

(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid (PubChem CID 19421560) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
PubChem CID19421560
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid
SMILESCOc1ccc(/C(=C\C(=O)O)c2cccc(C)c2)cc1OC
InChIInChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)15(11-18(19)20)14-7-8-16(21-2)17(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b15-11-
InChIKeyCPHZEAUBDJNFOX-PTNGSMBKSA-N
XLogP3.53
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)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

(Z)-3-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 19421636
(E)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 67731475
(Z)-3-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enoic acid
CID 19421512
(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate
CID 19421596
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
3-amino-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 70025208
(E)-3-[4-(cyanomethyl)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enoic acid
CID 19861775
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
2-methoxy-5-(3-methylbenzoyl)benzoic acid
CID 22917219
(Z)-3-(2-methoxyphenyl)-3-(4-methylphenyl)prop-2-enoic acid
CID 83564407
4-(3,4-dimethoxyphenyl)-4-(3,5-dimethoxyphenyl)but-3-en-2-one
CID 69203662

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid (CID 19421560) is (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid is COc1ccc(/C(=C\C(=O)O)c2cccc(C)c2)cc1OC.
What is the InChIKey of (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid?
The InChIKey is CPHZEAUBDJNFOX-PTNGSMBKSA-N. The full InChI is InChI=1S/C18H18O4/c1-12-5-4-6-13(9-12)15(11-18(19)20)14-7-8-16(21-2)17(10-14)22-3/h4-11H,1-3H3,(H,19,20)/b15-11-.
What are the key properties of (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid?
(Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 19421560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).