2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol

C25H32O3 — CID 145122006

IUPAC2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol
SMILESC=CC1CCC(c2ccc(-c3ccc(OCCO)c(CCOC)c3)cc2)CC1
InChIInChI=1S/C25H32O3/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-13-25(28-17-15-26)24(18-23)14-16-27-2/h3,8-13,18-20,26H,1,4-7,14-17H2,2H3
InChIKeyQMMZJJURFUSXIF-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.37
Rot. Bonds9

About 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol

2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol (PubChem CID 145122006) has the molecular formula C25H32O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol
PubChem CID145122006
Molecular FormulaC25H32O3
Molecular Weight380.53 g/mol
Exact Mass380.24
IUPAC Name2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol
SMILESC=CC1CCC(c2ccc(-c3ccc(OCCO)c(CCOC)c3)cc2)CC1
InChIInChI=1S/C25H32O3/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-13-25(28-17-15-26)24(18-23)14-16-27-2/h3,8-13,18-20,26H,1,4-7,14-17H2,2H3
InChIKeyQMMZJJURFUSXIF-UHFFFAOYSA-N
XLogP5.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol 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

1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145122016
2-(2-butyl-4-cycloheptylphenoxy)ethanol
CID 22374418
2-[2-(3-hydroxypropyl)-5-[4-(4-methylcyclohexyl)phenyl]phenyl]ethyl prop-2-enoate
CID 145121993
1-[4-[4-(4-ethenylcyclohexyl)-2-fluorophenyl]phenyl]-2,3-difluoro-4-hexoxybenzene
CID 67730045
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]benzene
CID 118858832
2-[2-(2-hydroxyethyl)-5-[4-(4-methylcyclohexyl)phenyl]phenoxy]ethyl 2-methylprop-2-enoate
CID 145122691
1-[4-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluorophenyl]phenyl]-2,3-difluoro-4-heptoxybenzene
CID 67737499
3-[5-(4-cyclohexyl-2-fluorophenyl)-2-(2-hydroxyethoxy)phenyl]propyl 2-methylprop-2-enoate
CID 134200643
2-[4-[4-[(1E,3E)-6-ethyl-2,3,5-trimethylocta-1,3,5-trienyl]-3-methylphenyl]-2-(2-methoxyethyl)phenoxy]ethanol
CID 145122443
[5-[2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]phenyl]-2-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl 2-methylprop-2-enoate
CID 145122332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol?
The IUPAC name of 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol (CID 145122006) is 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol.
What is the SMILES notation for 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol?
The canonical SMILES for 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol is C=CC1CCC(c2ccc(-c3ccc(OCCO)c(CCOC)c3)cc2)CC1.
What is the InChIKey of 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol?
The InChIKey is QMMZJJURFUSXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O3/c1-3-19-4-6-20(7-5-19)21-8-10-22(11-9-21)23-12-13-25(28-17-15-26)24(18-23)14-16-27-2/h3,8-13,18-20,26H,1,4-7,14-17H2,2H3.
What are the key properties of 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol?
2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol has a molecular weight of 380.53 g/mol, XLogP of 5.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-ethenylcyclohexyl)phenyl]-2-(2-methoxyethyl)phenoxy]ethanol is sourced from PubChem (CID 145122006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).