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

C15H20ClFO — CID 65399387

IUPAC2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H20ClFO/c16-14-10-13(17)8-7-12(14)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeySSXQYYMGHWPWGD-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds3

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

2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol (PubChem CID 65399387) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
PubChem CID65399387
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
SMILESOC(Cc1ccc(F)cc1Cl)C1CCCCCC1
InChIInChI=1S/C15H20ClFO/c16-14-10-13(17)8-7-12(14)9-15(18)11-5-3-1-2-4-6-11/h7-8,10-11,15,18H,1-6,9H2
InChIKeySSXQYYMGHWPWGD-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

1-cyclohexyl-2-(2,4-difluorophenyl)ethanol
CID 62195897
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-cycloheptylethanol
CID 114852326
2-(2-chloro-4-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)ethanol
CID 65410795
N-[2-(2-chloro-4-fluorophenyl)-1-cycloheptylethyl]propan-1-amine
CID 65399267
1-cycloheptyl-2-(2,5-dichlorophenyl)ethanol
CID 65399864
1-(2-chloro-4-fluorophenyl)-3-cyclopentyl-N-methylpropan-2-amine
CID 63033860
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
N-[(2-chloro-4-fluorophenyl)methyl]cyclohexanamine
CID 28565044
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
2-(2-chloro-3-fluorophenyl)-1-cyclopentylethanol
CID 112653044

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol (CID 65399387) is 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol is OC(Cc1ccc(F)cc1Cl)C1CCCCCC1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol?
The InChIKey is SSXQYYMGHWPWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c16-14-10-13(17)8-7-12(14)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-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol?
2-(2-chloro-4-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-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol is sourced from PubChem (CID 65399387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).