1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol

C16H23FO — CID 112679495

IUPAC1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1CCCCCC1
InChIInChI=1S/C16H23FO/c1-2-16(18,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h7-8,11-13,18H,2-6,9-10H2,1H3
InChIKeyCGEBUKPYODTYAR-UHFFFAOYSA-N
MW250.36 g/mol
LogP4.39
Rot. Bonds3

About 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol

1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol (PubChem CID 112679495) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
PubChem CID112679495
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol
SMILESCCC(O)(c1ccccc1F)C1CCCCCC1
InChIInChI=1S/C16H23FO/c1-2-16(18,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h7-8,11-13,18H,2-6,9-10H2,1H3
InChIKeyCGEBUKPYODTYAR-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-Phenyl-2-propanol
CID 12053
Fenipentol
CID 3338
p-Cymen-8-ol
CID 14529
3-Hydroxy-3-phenyl-1-butyne
CID 92098
Triphenylcarbinol
CID 6457
1-Phenylcyclohexanol
CID 15319
1,1-Diphenylethanol
CID 69031
1,1,2-Triphenylethanol
CID 245013
Benzenemethanol, (1-((1,1-dimethylethyl)dioxy)-1-methylethyl)-alpha,alpha-dimethyl-
CID 18935
p-Bis(2-hydroxyisopropyl)benzene
CID 18062
alpha,alpha-Dimethyl[1,1'-biphenyl]-4-methanol
CID 118654
2-Phenylbutan-2-ol
CID 15283

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol (CID 112679495) is 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol is CCC(O)(c1ccccc1F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is CGEBUKPYODTYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-2-16(18,13-9-5-3-4-6-10-13)14-11-7-8-12-15(14)17/h7-8,11-13,18H,2-6,9-10H2,1H3.
What are the key properties of 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol?
1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 250.36 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 112679495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).