2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

C17H24ClFO — CID 102857380

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C17H24ClFO/c1-11(2)12-6-8-13(9-7-12)16(20)10-14-4-3-5-15(18)17(14)19/h3-5,11-13,16,20H,6-10H2,1-2H3
InChIKeyGFPLOBIDKGBXQA-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.84
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (PubChem CID 102857380) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
PubChem CID102857380
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
SMILESCC(C)C1CCC(C(O)Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C17H24ClFO/c1-11(2)12-6-8-13(9-7-12)16(20)10-14-4-3-5-15(18)17(14)19/h3-5,11-13,16,20H,6-10H2,1-2H3
InChIKeyGFPLOBIDKGBXQA-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
CID 82802497
2-(2,6-dichlorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65423546
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798
[1-(3-chloro-2-fluorophenyl)-3-cyclopropylbutan-2-yl]hydrazine
CID 102868874
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol (CID 102857380) is 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is CC(C)C1CCC(C(O)Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
The InChIKey is GFPLOBIDKGBXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-11(2)12-6-8-13(9-7-12)16(20)10-14-4-3-5-15(18)17(14)19/h3-5,11-13,16,20H,6-10H2,1-2H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol has a molecular weight of 298.83 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol is sourced from PubChem (CID 102857380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).