1-benzyl-2,3-dimethylcyclohexan-1-ol

C15H22O — CID 64754174

IUPAC1-benzyl-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccccc2)C1C
InChIInChI=1S/C15H22O/c1-12-7-6-10-15(16,13(12)2)11-14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyHFSOSMSASLYZLO-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.42
Rot. Bonds2

About 1-benzyl-2,3-dimethylcyclohexan-1-ol

1-benzyl-2,3-dimethylcyclohexan-1-ol (PubChem CID 64754174) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-benzyl-2,3-dimethylcyclohexan-1-ol
PubChem CID64754174
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-benzyl-2,3-dimethylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccccc2)C1C
InChIInChI=1S/C15H22O/c1-12-7-6-10-15(16,13(12)2)11-14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3
InChIKeyHFSOSMSASLYZLO-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-benzyl-2,3-dimethylcyclohexan-1-ol (CID 64754174) is 1-benzyl-2,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-benzyl-2,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-benzyl-2,3-dimethylcyclohexan-1-ol is CC1CCCC(O)(Cc2ccccc2)C1C.
What is the InChIKey of 1-benzyl-2,3-dimethylcyclohexan-1-ol?
The InChIKey is HFSOSMSASLYZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-12-7-6-10-15(16,13(12)2)11-14-8-4-3-5-9-14/h3-5,8-9,12-13,16H,6-7,10-11H2,1-2H3.
What are the key properties of 1-benzyl-2,3-dimethylcyclohexan-1-ol?
1-benzyl-2,3-dimethylcyclohexan-1-ol has a molecular weight of 218.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64754174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).