ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate

C14H18O4 — CID 70021024

IUPACethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)cc1OCC
InChIInChI=1S/C14H18O4/c1-4-17-13-10-12(16-3)8-6-11(13)7-9-14(15)18-5-2/h6-10H,4-5H2,1-3H3
InChIKeyOODLGXCTLPPJOK-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.67
Rot. Bonds6

About ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate

ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate (PubChem CID 70021024) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
PubChem CID70021024
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Nameethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(OC)cc1OCC
InChIInChI=1S/C14H18O4/c1-4-17-13-10-12(16-3)8-6-11(13)7-9-14(15)18-5-2/h6-10H,4-5H2,1-3H3
InChIKeyOODLGXCTLPPJOK-UHFFFAOYSA-N
XLogP2.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate 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

octyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 175047565
ethyl (E)-3-[2-(difluoromethyl)-4-methoxyphenyl]prop-2-enoate
CID 166278174
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
2-[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]-5-methoxyphenyl]acetic acid
CID 102170407
[2-(4-ethoxyphenyl)-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 8023796
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
CID 169481027
ethyl (E)-3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 28689337
methyl (E)-3-(2-ethoxy-4-methylphenyl)prop-2-enoate
CID 20596318
(E)-3-(2-ethoxy-4-methoxyphenyl)prop-2-en-1-amine
CID 117295921

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate (CID 70021024) is ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(OC)cc1OCC.
What is the InChIKey of ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate?
The InChIKey is OODLGXCTLPPJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-4-17-13-10-12(16-3)8-6-11(13)7-9-14(15)18-5-2/h6-10H,4-5H2,1-3H3.
What are the key properties of ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate?
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate has a molecular weight of 250.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 70021024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).