1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene

C21H24O2 — CID 102082434

IUPAC1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene
SMILESC(=C1CCCCC1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H24O2/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)23-16-15-22-20-9-5-2-6-10-20/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2
InChIKeyKUNLDEHACDGGDB-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.49
Rot. Bonds6

About 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene

1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene (PubChem CID 102082434) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene.

Molecular Properties

Compound Name1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene
PubChem CID102082434
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene
SMILESC(=C1CCCCC1)c1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C21H24O2/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)23-16-15-22-20-9-5-2-6-10-20/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2
InChIKeyKUNLDEHACDGGDB-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene 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 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene?
The IUPAC name of 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene (CID 102082434) is 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene.
What is the SMILES notation for 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene?
The canonical SMILES for 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene is C(=C1CCCCC1)c1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene?
The InChIKey is KUNLDEHACDGGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-7-18(8-4-1)17-19-11-13-21(14-12-19)23-16-15-22-20-9-5-2-6-10-20/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2.
What are the key properties of 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene?
1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene has a molecular weight of 308.42 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylidenemethyl)-4-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 102082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).