3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal

C18H24O2 — CID 54419357

IUPAC3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal
SMILESCCc1ccc(C2CCC(C=CC=O)(OC)CC2)cc1
InChIInChI=1S/C18H24O2/c1-3-15-5-7-16(8-6-15)17-9-12-18(20-2,13-10-17)11-4-14-19/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3
InChIKeyVZRUAZXVUWEVLP-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.05
Rot. Bonds5

About 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal

3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal (PubChem CID 54419357) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal.

Molecular Properties

Compound Name3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal
PubChem CID54419357
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal
SMILESCCc1ccc(C2CCC(C=CC=O)(OC)CC2)cc1
InChIInChI=1S/C18H24O2/c1-3-15-5-7-16(8-6-15)17-9-12-18(20-2,13-10-17)11-4-14-19/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3
InChIKeyVZRUAZXVUWEVLP-UHFFFAOYSA-N
XLogP4.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]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

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal?
The IUPAC name of 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal (CID 54419357) is 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal.
What is the SMILES notation for 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal?
The canonical SMILES for 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal is CCc1ccc(C2CCC(C=CC=O)(OC)CC2)cc1.
What is the InChIKey of 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal?
The InChIKey is VZRUAZXVUWEVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-3-15-5-7-16(8-6-15)17-9-12-18(20-2,13-10-17)11-4-14-19/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3.
What are the key properties of 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal?
3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal has a molecular weight of 272.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-ethylphenyl)-1-methoxycyclohexyl]prop-2-enal is sourced from PubChem (CID 54419357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).