ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate

C16H18O3 — CID 73188801

IUPACethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
SMILESCCOC(=O)C=C1C=C(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H18O3/c1-3-19-16(17)11-12-4-5-14(10-12)13-6-8-15(18-2)9-7-13/h6-11H,3-5H2,1-2H3
InChIKeyABHDMHIVIBAHLP-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.36
Rot. Bonds4

About ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate

ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate (PubChem CID 73188801) has the molecular formula C16H18O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
PubChem CID73188801
Molecular FormulaC16H18O3
Molecular Weight258.32 g/mol
Exact Mass258.13
IUPAC Nameethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate
SMILESCCOC(=O)C=C1C=C(c2ccc(OC)cc2)CC1
InChIInChI=1S/C16H18O3/c1-3-19-16(17)11-12-4-5-14(10-12)13-6-8-15(18-2)9-7-13/h6-11H,3-5H2,1-2H3
InChIKeyABHDMHIVIBAHLP-UHFFFAOYSA-N
XLogP3.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate?
The IUPAC name of ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate (CID 73188801) is ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate.
What is the SMILES notation for ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate?
The canonical SMILES for ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate is CCOC(=O)C=C1C=C(c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate?
The InChIKey is ABHDMHIVIBAHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3/c1-3-19-16(17)11-12-4-5-14(10-12)13-6-8-15(18-2)9-7-13/h6-11H,3-5H2,1-2H3.
What are the key properties of ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate?
ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate has a molecular weight of 258.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(4-methoxyphenyl)cyclopent-2-en-1-ylidene]acetate is sourced from PubChem (CID 73188801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).