1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol

C16H22ClFO — CID 102623074

IUPAC1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1cc(F)ccc1Cl)CC1CCCCCC1
InChIInChI=1S/C16H22ClFO/c17-16-8-7-14(18)10-13(16)11-15(19)9-12-5-3-1-2-4-6-12/h7-8,10,12,15,19H,1-6,9,11H2
InChIKeyVYJUHPVAFWFJDS-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.74
Rot. Bonds4

About 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol

1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol (PubChem CID 102623074) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
PubChem CID102623074
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol
SMILESOC(Cc1cc(F)ccc1Cl)CC1CCCCCC1
InChIInChI=1S/C16H22ClFO/c17-16-8-7-14(18)10-13(16)11-15(19)9-12-5-3-1-2-4-6-12/h7-8,10,12,15,19H,1-6,9,11H2
InChIKeyVYJUHPVAFWFJDS-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-fluorophenyl)-3-cyclohexylpropan-2-amine
CID 102622536
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
1-(2-chloro-5-fluorophenoxy)-3-cyclopentylpropan-2-ol
CID 114264292
1-(2-chloro-3-fluorophenyl)-3-cycloheptylpropan-2-ol
CID 115831211
2-(2-chloro-5-fluorophenyl)-1-[2-(trifluoromethyl)cyclohexyl]ethanol
CID 102623125
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2-chloro-4-fluorophenyl)-1-cycloheptylethanol
CID 65399387
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-(2,4-difluorophenyl)-3-(oxan-4-yl)propan-2-ol
CID 64560809
2-(2-chloro-5-fluorophenyl)-1-(1-methylcyclohexyl)ethanol
CID 106831059
1-(5-fluoro-2-methylphenyl)-3-(thian-4-yl)propan-2-ol
CID 105377602
1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 102622980

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol?
The IUPAC name of 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol (CID 102623074) is 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol.
What is the SMILES notation for 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol?
The canonical SMILES for 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol is OC(Cc1cc(F)ccc1Cl)CC1CCCCCC1.
What is the InChIKey of 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol?
The InChIKey is VYJUHPVAFWFJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c17-16-8-7-14(18)10-13(16)11-15(19)9-12-5-3-1-2-4-6-12/h7-8,10,12,15,19H,1-6,9,11H2.
What are the key properties of 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol?
1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol has a molecular weight of 284.80 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluorophenyl)-3-cycloheptylpropan-2-ol is sourced from PubChem (CID 102623074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).