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

C15H20ClFO — CID 114852326

IUPAC2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1ccc(Cl)cc1F)C1CCCCCC1
InChIInChI=1S/C15H20ClFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeySMGMXXLUUFCJQP-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds3

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

2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol (PubChem CID 114852326) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
PubChem CID114852326
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1ccc(Cl)cc1F)C1CCCCCC1
InChIInChI=1S/C15H20ClFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeySMGMXXLUUFCJQP-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-2-fluorophenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 114854696
1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457499
1-cyclobutyl-2-(2,5-dichlorophenyl)ethanol
CID 65321223
2-(3-chlorophenyl)-1-cycloheptylethanol
CID 63518276
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044
2-(2-bromo-4-fluorophenyl)-1-cyclohexylethanol
CID 62605945
1-cyclopentyl-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346848
2-(4-chloro-2-fluorophenyl)-1-cyclohexylethanone
CID 114853673
3-(4-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-amine
CID 176776827

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol?
The IUPAC name of 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol (CID 114852326) is 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol.
What is the SMILES notation for 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol?
The canonical SMILES for 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol is OC(Cc1ccc(Cl)cc1F)C1CCCCCC1.
What is the InChIKey of 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol?
The InChIKey is SMGMXXLUUFCJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c16-13-8-7-12(14(17)10-13)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15,18H,1-6,9H2.
What are the key properties of 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol?
2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-fluorophenyl)-1-cycloheptylethanol is sourced from PubChem (CID 114852326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).