4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol

C20H30O — CID 19863175

IUPAC4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(CCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30O/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-11,16,19-21H,1-7,12-15H2
InChIKeyXXFSYBWSKOQHDM-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.22
Rot. Bonds4

About 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol

4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol (PubChem CID 19863175) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol
PubChem CID19863175
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol
SMILESOC1CCC(c2ccc(CCC3CCCCC3)cc2)CC1
InChIInChI=1S/C20H30O/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-11,16,19-21H,1-7,12-15H2
InChIKeyXXFSYBWSKOQHDM-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol (CID 19863175) is 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol is OC1CCC(c2ccc(CCC3CCCCC3)cc2)CC1.
What is the InChIKey of 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol?
The InChIKey is XXFSYBWSKOQHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c21-20-14-12-19(13-15-20)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h8-11,16,19-21H,1-7,12-15H2.
What are the key properties of 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol?
4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexylethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 19863175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).