1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol

C14H18ClFO — CID 63083124

IUPAC1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFO/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyKEQTUEJHLCHMPS-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol

1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol (PubChem CID 63083124) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
PubChem CID63083124
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol
SMILESOC(CC1CCCCC1)c1ccc(Cl)cc1F
InChIInChI=1S/C14H18ClFO/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2
InChIKeyKEQTUEJHLCHMPS-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-5-chlorophenyl)-2-cyclohexylethanol
CID 66156275
2-cyclopentyl-1-(2,5-difluorophenyl)ethanol
CID 61101489
1-(4-chloro-2-fluorophenyl)-2-cyclohexyl-N-ethylethanamine
CID 63418000
1-(5-chloro-2-methylphenyl)-2-cyclobutylethanol
CID 115802584
1-(2-chloro-4,5-difluorophenyl)-2-cyclobutylethanol
CID 107477114
2-cyclobutyl-1-(2-fluorophenyl)ethanol
CID 65458117
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
[(4-chloro-2-fluorophenyl)-cycloheptylmethyl]hydrazine
CID 105217855
[1-(5-chloro-2-fluorophenyl)-2-cyclopentylethyl]hydrazine
CID 105280031
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
2-cyclohexyl-1-(4-fluoro-3-methylphenyl)ethanol
CID 55095037
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol (CID 63083124) is 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol is OC(CC1CCCCC1)c1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol?
The InChIKey is KEQTUEJHLCHMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c15-11-6-7-12(13(16)9-11)14(17)8-10-4-2-1-3-5-10/h6-7,9-10,14,17H,1-5,8H2.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol?
1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol has a molecular weight of 256.75 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-2-cyclohexylethanol is sourced from PubChem (CID 63083124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).