1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol

C15H20ClFO — CID 103043661

IUPAC1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
SMILESOC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFO/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13,18H,1-5,7,9H2
InChIKeyFKGJCRABGMDBMO-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol

1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol (PubChem CID 103043661) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
PubChem CID103043661
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol
SMILESOC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H20ClFO/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13,18H,1-5,7,9H2
InChIKeyFKGJCRABGMDBMO-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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-(3-chloro-4-fluorophenyl)-4-cyclopentyl-N-ethylbutan-2-amine
CID 103043472
1-(3-chloro-4-fluorophenyl)-3-cyclopentylsulfanylpropan-2-ol
CID 103039599
1-(3-chloro-4-fluorophenyl)-3-cycloheptylpropan-2-amine
CID 103042970
4-cyclopentyl-1-(3-methylphenyl)butan-2-ol
CID 55149919
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
1-cyclopentyl-3-(3,4-dichlorophenyl)propan-2-ol
CID 63411016
4-cyclopentyl-1-[4-(trifluoromethoxy)phenyl]butan-2-ol
CID 115787298
1-(3-chloro-4-fluorophenyl)-4-methylpentan-2-ol
CID 103039007
4-cyclohexyl-1-(3,5-dimethylphenyl)butan-2-ol
CID 114980328
1-(3-chloro-4-fluorophenyl)-3-methoxypropan-2-ol
CID 103039553
1-(3-chloro-4-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-ol
CID 103039559
1-(4-chlorophenyl)-4-cyclopentylbutan-2-amine
CID 63527017

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol (CID 103043661) is 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol is OC(CCC1CCCC1)Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol?
The InChIKey is FKGJCRABGMDBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c16-14-10-12(6-8-15(14)17)9-13(18)7-5-11-3-1-2-4-11/h6,8,10-11,13,18H,1-5,7,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol?
1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-4-cyclopentylbutan-2-ol is sourced from PubChem (CID 103043661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).