5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one

C14H17FO2 — CID 155676405

IUPAC5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CC(c2ccc(F)cc2)CC1O
InChIInChI=1S/C14H17FO2/c1-14(2)12(16)7-10(8-13(14)17)9-3-5-11(15)6-4-9/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyPANHEWYNCIOGNW-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.66
Rot. Bonds1

About 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one

5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one (PubChem CID 155676405) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one
PubChem CID155676405
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one
SMILESCC1(C)C(=O)CC(c2ccc(F)cc2)CC1O
InChIInChI=1S/C14H17FO2/c1-14(2)12(16)7-10(8-13(14)17)9-3-5-11(15)6-4-9/h3-6,10,12,16H,7-8H2,1-2H3
InChIKeyPANHEWYNCIOGNW-UHFFFAOYSA-N
XLogP2.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one (CID 155676405) is 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one is CC1(C)C(=O)CC(c2ccc(F)cc2)CC1O.
What is the InChIKey of 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
The InChIKey is PANHEWYNCIOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-14(2)12(16)7-10(8-13(14)17)9-3-5-11(15)6-4-9/h3-6,10,12,16H,7-8H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one?
5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-hydroxy-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 155676405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).