2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate

C19H20O4 — CID 174542890

IUPAC2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate
SMILESCOc1ccc(OC)c(CCC(=O)OC=Cc2ccccc2)c1
InChIInChI=1S/C19H20O4/c1-21-17-9-10-18(22-2)16(14-17)8-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyZVIIIHAPDQJUDV-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.85
Rot. Bonds7

About 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate

2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate (PubChem CID 174542890) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate.

Molecular Properties

Compound Name2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate
PubChem CID174542890
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Name2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate
SMILESCOc1ccc(OC)c(CCC(=O)OC=Cc2ccccc2)c1
InChIInChI=1S/C19H20O4/c1-21-17-9-10-18(22-2)16(14-17)8-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyZVIIIHAPDQJUDV-UHFFFAOYSA-N
XLogP3.85
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate 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-(2,5-dimethoxyphenyl)propanoyl chloride
CID 121219721
2-phenylethenyl 3-(2,3-dihydroxyphenyl)propanoate
CID 174542886
(Z)-6-(2,5-dimethoxyphenyl)-4-methylhex-3-en-2-one
CID 102021855
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
3-(2,5-dimethoxyphenyl)-1-(2-propan-2-ylimino-1-pyridinyl)propan-1-one
CID 134052933
4-(2,5-dimethoxyphenyl)butanehydrazide
CID 116843562
2-(3-bromobut-3-enyl)-1,4-dimethoxybenzene
CID 24721947
3-(2-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 82265548
3-(2,5-dimethoxyphenyl)-1-[2-(2-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 55888907
4-(2,5-dimethoxyphenyl)-N-methylbutanehydrazide
CID 116845076
(2R)-1-[3-(2,5-dimethoxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119372093
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 22742653

Frequently Asked Questions

What is the IUPAC name of 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate?
The IUPAC name of 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate (CID 174542890) is 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate.
What is the SMILES notation for 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate?
The canonical SMILES for 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate is COc1ccc(OC)c(CCC(=O)OC=Cc2ccccc2)c1.
What is the InChIKey of 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate?
The InChIKey is ZVIIIHAPDQJUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O4/c1-21-17-9-10-18(22-2)16(14-17)8-11-19(20)23-13-12-15-6-4-3-5-7-15/h3-7,9-10,12-14H,8,11H2,1-2H3.
What are the key properties of 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate?
2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate has a molecular weight of 312.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethenyl 3-(2,5-dimethoxyphenyl)propanoate is sourced from PubChem (CID 174542890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).