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

C20H24O2 — CID 14047825

IUPAC1-cyclohexyl-4-(2-phenoxyethoxy)benzene
SMILESc1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-16-15-21-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2
InChIKeyMOEMMCLCGYJVTO-UHFFFAOYSA-N
MW296.41 g/mol
LogP5.19
Rot. Bonds6

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

1-cyclohexyl-4-(2-phenoxyethoxy)benzene (PubChem CID 14047825) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-cyclohexyl-4-(2-phenoxyethoxy)benzene.

Molecular Properties

Compound Name1-cyclohexyl-4-(2-phenoxyethoxy)benzene
PubChem CID14047825
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name1-cyclohexyl-4-(2-phenoxyethoxy)benzene
SMILESc1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C20H24O2/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-16-15-21-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2
InChIKeyMOEMMCLCGYJVTO-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-cyclohexyl-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

Related Compounds

4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
2-(4-cyclohexylphenoxy)ethylazanium
CID 7273660
2-(4-cyclohexylphenoxy)ethanamine
CID 542015
1-cyclohexyl-4-heptoxybenzene
CID 56628106
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
N-[[4-(2-phenoxyethoxy)phenyl]methyl]cyclohexanamine
CID 54797686
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
CID 152663687
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059
1-(4-cyclobutylphenyl)-3-phenoxypropan-1-ol
CID 116505724
1-cyclohexyl-4-(methoxymethoxy)benzene
CID 143461597
[3-[4-(2-phenoxyethoxy)phenyl]cyclopentyl]methanol
CID 143710409
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-phenylsulfanium;(4-butoxyphenyl)-diphenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 159162690

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(2-phenoxyethoxy)benzene?
The IUPAC name of 1-cyclohexyl-4-(2-phenoxyethoxy)benzene (CID 14047825) is 1-cyclohexyl-4-(2-phenoxyethoxy)benzene.
What is the SMILES notation for 1-cyclohexyl-4-(2-phenoxyethoxy)benzene?
The canonical SMILES for 1-cyclohexyl-4-(2-phenoxyethoxy)benzene is c1ccc(OCCOc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 1-cyclohexyl-4-(2-phenoxyethoxy)benzene?
The InChIKey is MOEMMCLCGYJVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-7-17(8-4-1)18-11-13-20(14-12-18)22-16-15-21-19-9-5-2-6-10-19/h2,5-6,9-14,17H,1,3-4,7-8,15-16H2.
What are the key properties of 1-cyclohexyl-4-(2-phenoxyethoxy)benzene?
1-cyclohexyl-4-(2-phenoxyethoxy)benzene has a molecular weight of 296.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(2-phenoxyethoxy)benzene is sourced from PubChem (CID 14047825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).