3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol

C16H22ClFO2 — CID 107884380

IUPAC3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H22ClFO2/c1-20-16(12-5-3-2-4-6-12)15(19)10-11-7-8-13(17)14(18)9-11/h7-9,12,15-16,19H,2-6,10H2,1H3
InChIKeyWOQWGRBFRUTTKB-UHFFFAOYSA-N
MW300.80 g/mol
LogP3.98
Rot. Bonds5

About 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol

3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol (PubChem CID 107884380) has the molecular formula C16H22ClFO2 and a molecular weight of 300.80 g/mol. Its IUPAC name is 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol.

Molecular Properties

Compound Name3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
PubChem CID107884380
Molecular FormulaC16H22ClFO2
Molecular Weight300.80 g/mol
Exact Mass300.13
IUPAC Name3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
SMILESCOC(C(O)Cc1ccc(Cl)c(F)c1)C1CCCCC1
InChIInChI=1S/C16H22ClFO2/c1-20-16(12-5-3-2-4-6-12)15(19)10-11-7-8-13(17)14(18)9-11/h7-9,12,15-16,19H,2-6,10H2,1H3
InChIKeyWOQWGRBFRUTTKB-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-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

1-cyclohexyl-3-(3-fluorophenyl)-1-methoxypropan-2-ol
CID 116756361
2-(4-chloro-3-fluorophenyl)-1-cyclobutylethanol
CID 107883654
2-(4-chloro-3-fluorophenyl)-1-cyclohexylethanamine
CID 114012687
2-(4-chloro-3-fluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 107883617
3-(4-bromo-2-chlorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol
CID 116756312
[3-(3-chloro-4-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-yl]hydrazine
CID 103044125
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-cyclopropyl-3-(3,4-dimethylphenyl)-1-methoxypropan-2-ol
CID 116712521
1-cyclohexyl-3-(3,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 116771493
1-cyclopropyl-1-methoxy-3-(4-methylphenyl)propan-2-ol
CID 116712560
3-(4-chloro-3-fluorophenyl)-2-cyclopentyl-N-propan-2-ylpropan-1-amine
CID 107897598
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The IUPAC name of 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol (CID 107884380) is 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol.
What is the SMILES notation for 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The canonical SMILES for 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol is COC(C(O)Cc1ccc(Cl)c(F)c1)C1CCCCC1.
What is the InChIKey of 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
The InChIKey is WOQWGRBFRUTTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO2/c1-20-16(12-5-3-2-4-6-12)15(19)10-11-7-8-13(17)14(18)9-11/h7-9,12,15-16,19H,2-6,10H2,1H3.
What are the key properties of 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol?
3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol has a molecular weight of 300.80 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-fluorophenyl)-1-cyclohexyl-1-methoxypropan-2-ol is sourced from PubChem (CID 107884380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).