1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol

C16H23FO — CID 64731491

IUPAC1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
SMILESCC1CC(C)CC(C(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FO/c1-11-6-12(2)8-14(7-11)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3
InChIKeyHJTXQMFMDTXAKR-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.80
Rot. Bonds3

About 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol

1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol (PubChem CID 64731491) has the molecular formula C16H23FO and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
PubChem CID64731491
Molecular FormulaC16H23FO
Molecular Weight250.36 g/mol
Exact Mass250.17
IUPAC Name1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol
SMILESCC1CC(C)CC(C(O)Cc2cccc(F)c2)C1
InChIInChI=1S/C16H23FO/c1-11-6-12(2)8-14(7-11)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3
InChIKeyHJTXQMFMDTXAKR-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol 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

N-ethyl-2-(3-fluorophenyl)-1-(3-methylcyclopentyl)ethanamine
CID 65415597
2-(3-methoxyphenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400147
2-(4-fluorophenyl)-1-(3-methylcyclopentyl)ethanol
CID 65400541
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71582376
(1R)-2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71116930
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanol
CID 116754724
1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
1-(1,4-dioxan-2-yl)-2-(3-fluorophenyl)ethanol
CID 65351287
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
2-(3-bromophenyl)-1-(4-methylcyclohexyl)ethanol
CID 63411098
2-(3-fluorophenyl)-1-(4-methylmorpholin-2-yl)ethanol
CID 79087183
(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol (CID 64731491) is 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol is CC1CC(C)CC(C(O)Cc2cccc(F)c2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol?
The InChIKey is HJTXQMFMDTXAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO/c1-11-6-12(2)8-14(7-11)16(18)10-13-4-3-5-15(17)9-13/h3-5,9,11-12,14,16,18H,6-8,10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol?
1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol has a molecular weight of 250.36 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-2-(3-fluorophenyl)ethanol is sourced from PubChem (CID 64731491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).