1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol

C21H24O2 — CID 129090086

IUPAC1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
SMILESC=CC1(O)CCC(C)(c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H24O2/c1-3-21(22)14-12-20(2,13-15-21)17-8-7-11-19(16-17)23-18-9-5-4-6-10-18/h3-11,16,22H,1,12-15H2,2H3
InChIKeyZYTOXRZSUMMSDK-UHFFFAOYSA-N
MW308.42 g/mol
LogP5.23
Rot. Bonds4

About 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol

1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol (PubChem CID 129090086) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
PubChem CID129090086
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol
SMILESC=CC1(O)CCC(C)(c2cccc(Oc3ccccc3)c2)CC1
InChIInChI=1S/C21H24O2/c1-3-21(22)14-12-20(2,13-15-21)17-8-7-11-19(16-17)23-18-9-5-4-6-10-18/h3-11,16,22H,1,12-15H2,2H3
InChIKeyZYTOXRZSUMMSDK-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 145039199
CID 175001892
CID 175001892
methanol;1-methoxy-3-(1-methylcyclohexyl)benzene;(3Z)-penta-1,3-diene
CID 143461576
1-ethenyl-6-phenoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 154116658
methanimine;(1-methylcyclopropyl)benzene
CID 163372964
tert-butyl-dimethyl-[3-(1-methylcyclopropyl)phenoxy]silane
CID 140678448
3-methoxy-3-(3-phenoxyphenyl)cyclobutane-1-carbaldehyde
CID 118951250
CID 159259752
CID 159259752
ethyl 3-hydroxy-3-(3-phenoxyphenyl)cyclobutane-1-carboxylate
CID 118951537
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
2-(1-methylcyclopropyl)naphthalene
CID 10511657
1-(3-phenoxyphenyl)ethanol
CID 12882419

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol?
The IUPAC name of 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol (CID 129090086) is 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol.
What is the SMILES notation for 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol?
The canonical SMILES for 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol is C=CC1(O)CCC(C)(c2cccc(Oc3ccccc3)c2)CC1.
What is the InChIKey of 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol?
The InChIKey is ZYTOXRZSUMMSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O2/c1-3-21(22)14-12-20(2,13-15-21)17-8-7-11-19(16-17)23-18-9-5-4-6-10-18/h3-11,16,22H,1,12-15H2,2H3.
What are the key properties of 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol?
1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-methyl-4-(3-phenoxyphenyl)cyclohexan-1-ol is sourced from PubChem (CID 129090086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).