2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol

C20H30O — CID 63406702

IUPAC2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol
SMILESCc1ccc(C)c(C2(O)CCCCC2C2CCCCC2)c1
InChIInChI=1S/C20H30O/c1-15-11-12-16(2)19(14-15)20(21)13-7-6-10-18(20)17-8-4-3-5-9-17/h11-12,14,17-18,21H,3-10,13H2,1-2H3
InChIKeyACAITZREHGMFNB-UHFFFAOYSA-N
MW286.46 g/mol
LogP5.26
Rot. Bonds2

About 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol

2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol (PubChem CID 63406702) has the molecular formula C20H30O and a molecular weight of 286.46 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol
PubChem CID63406702
Molecular FormulaC20H30O
Molecular Weight286.46 g/mol
Exact Mass286.23
IUPAC Name2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol
SMILESCc1ccc(C)c(C2(O)CCCCC2C2CCCCC2)c1
InChIInChI=1S/C20H30O/c1-15-11-12-16(2)19(14-15)20(21)13-7-6-10-18(20)17-8-4-3-5-9-17/h11-12,14,17-18,21H,3-10,13H2,1-2H3
InChIKeyACAITZREHGMFNB-UHFFFAOYSA-N
XLogP5.26
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol?
The IUPAC name of 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol (CID 63406702) is 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol?
The canonical SMILES for 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol is Cc1ccc(C)c(C2(O)CCCCC2C2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol?
The InChIKey is ACAITZREHGMFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O/c1-15-11-12-16(2)19(14-15)20(21)13-7-6-10-18(20)17-8-4-3-5-9-17/h11-12,14,17-18,21H,3-10,13H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol?
2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol has a molecular weight of 286.46 g/mol, XLogP of 5.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,5-dimethylphenyl)cyclohexan-1-ol is sourced from PubChem (CID 63406702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).