3,3-bis(3,4-dimethoxyphenyl)prop-2-enal

C19H20O5 — CID 14347231

IUPAC3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(=CC=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H20O5/c1-21-16-7-5-13(11-18(16)23-3)15(9-10-20)14-6-8-17(22-2)19(12-14)24-4/h5-12H,1-4H3
InChIKeyFNHRWNIXEVJPJQ-UHFFFAOYSA-N
MW328.36 g/mol
LogP3.35
Rot. Bonds7

About 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal

3,3-bis(3,4-dimethoxyphenyl)prop-2-enal (PubChem CID 14347231) has the molecular formula C19H20O5 and a molecular weight of 328.36 g/mol. Its IUPAC name is 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal.

Molecular Properties

Compound Name3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
PubChem CID14347231
Molecular FormulaC19H20O5
Molecular Weight328.36 g/mol
Exact Mass328.13
IUPAC Name3,3-bis(3,4-dimethoxyphenyl)prop-2-enal
SMILESCOc1ccc(C(=CC=O)c2ccc(OC)c(OC)c2)cc1OC
InChIInChI=1S/C19H20O5/c1-21-16-7-5-13(11-18(16)23-3)15(9-10-20)14-6-8-17(22-2)19(12-14)24-4/h5-12H,1-4H3
InChIKeyFNHRWNIXEVJPJQ-UHFFFAOYSA-N
XLogP3.35
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal 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-bromo-3-(3,4-dimethoxyphenyl)prop-2-enal
CID 167435362
(Z)-3-(3,4-dimethoxyphenyl)-4-methylpent-2-enal
CID 10752162
(E)-3-(4-methoxy-3-methylphenyl)-3-phenylprop-2-enal
CID 102076702
4,4-bis(3,4-dimethoxyphenyl)but-3-en-2-one
CID 10154443
1,2-dimethoxy-4-[(E)-1-phenylprop-1-enyl]benzene
CID 59021042
1-[(E)-1-(3,4-dimethoxyphenyl)prop-1-enyl]-3,5-dimethoxybenzene
CID 69202625
(2E)-2-(3,4-dimethoxyphenyl)penta-2,4-dienoic acid
CID 88648997
3,4-dimethoxybenzoic acid;methanol
CID 144580050
(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
(Z)-2-(3,4-dimethoxyphenyl)-3-(dimethylamino)prop-2-enal
CID 12523502
3-(4-aminophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 54490093

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal?
The IUPAC name of 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal (CID 14347231) is 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal.
What is the SMILES notation for 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal?
The canonical SMILES for 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal is COc1ccc(C(=CC=O)c2ccc(OC)c(OC)c2)cc1OC.
What is the InChIKey of 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal?
The InChIKey is FNHRWNIXEVJPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O5/c1-21-16-7-5-13(11-18(16)23-3)15(9-10-20)14-6-8-17(22-2)19(12-14)24-4/h5-12H,1-4H3.
What are the key properties of 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal?
3,3-bis(3,4-dimethoxyphenyl)prop-2-enal has a molecular weight of 328.36 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(3,4-dimethoxyphenyl)prop-2-enal is sourced from PubChem (CID 14347231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).