5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol

C14H19ClO — CID 23373017

IUPAC5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C14H19ClO/c1-14(2)8-7-11(9-13(14)16)10-3-5-12(15)6-4-10/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyKNISHEXUIDJDIZ-UHFFFAOYSA-N
MW238.76 g/mol
LogP3.99
Rot. Bonds1

About 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol

5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol (PubChem CID 23373017) has the molecular formula C14H19ClO and a molecular weight of 238.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
PubChem CID23373017
Molecular FormulaC14H19ClO
Molecular Weight238.76 g/mol
Exact Mass238.11
IUPAC Name5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(c2ccc(Cl)cc2)CC1O
InChIInChI=1S/C14H19ClO/c1-14(2)8-7-11(9-13(14)16)10-3-5-12(15)6-4-10/h3-6,11,13,16H,7-9H2,1-2H3
InChIKeyKNISHEXUIDJDIZ-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol?
The IUPAC name of 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol (CID 23373017) is 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol.
What is the SMILES notation for 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol?
The canonical SMILES for 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol is CC1(C)CCC(c2ccc(Cl)cc2)CC1O.
What is the InChIKey of 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol?
The InChIKey is KNISHEXUIDJDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClO/c1-14(2)8-7-11(9-13(14)16)10-3-5-12(15)6-4-10/h3-6,11,13,16H,7-9H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol?
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol has a molecular weight of 238.76 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol is sourced from PubChem (CID 23373017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).