2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol

C15H20ClFO — CID 82802497

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H20ClFO/c1-10-5-7-11(8-6-10)14(18)9-12-3-2-4-13(16)15(12)17/h2-4,10-11,14,18H,5-9H2,1H3
InChIKeyYVRVTEFIELIJBO-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.21
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol

2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol (PubChem CID 82802497) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
PubChem CID82802497
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)Cc2cccc(Cl)c2F)CC1
InChIInChI=1S/C15H20ClFO/c1-10-5-7-11(8-6-10)14(18)9-12-3-2-4-13(16)15(12)17/h2-4,10-11,14,18H,5-9H2,1H3
InChIKeyYVRVTEFIELIJBO-UHFFFAOYSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.21
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-propan-2-ylcyclohexyl)ethanol
CID 102857380
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(4-methylcyclohexyl)ethanamine
CID 82805685
2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
2-(3-chloro-2-fluorophenyl)-1-[1-(dimethylamino)-4-methylcyclohexyl]ethanol
CID 102857419
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylethyl]hydrazine
CID 105264277
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylcyclohexyl)ethanamine
CID 82805344
3-(3-chloro-2-fluorophenyl)-1-cyclopropyl-1-hydroxypropan-2-one
CID 103456031
2-(3-chloro-2-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102867474
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-ol
CID 82803053
1-(3-chloro-2-fluorophenyl)butane-2,3-diol
CID 103452798

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol (CID 82802497) is 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol is CC1CCC(C(O)Cc2cccc(Cl)c2F)CC1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol?
The InChIKey is YVRVTEFIELIJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10-5-7-11(8-6-10)14(18)9-12-3-2-4-13(16)15(12)17/h2-4,10-11,14,18H,5-9H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol?
2-(3-chloro-2-fluorophenyl)-1-(4-methylcyclohexyl)ethanol has a molecular weight of 270.77 g/mol, XLogP of 4.21, 3 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-methylcyclohexyl)ethanol is sourced from PubChem (CID 82802497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).