[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol

C13H16ClFO — CID 107894887

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCC1
InChIInChI=1S/C13H16ClFO/c14-11-4-3-10(7-12(11)15)8-13(9-16)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8-9H2
InChIKeyNEJILQZVMLTBKG-UHFFFAOYSA-N
MW242.72 g/mol
LogP3.57
Rot. Bonds3

About [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol

[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol (PubChem CID 107894887) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
PubChem CID107894887
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCC1
InChIInChI=1S/C13H16ClFO/c14-11-4-3-10(7-12(11)15)8-13(9-16)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8-9H2
InChIKeyNEJILQZVMLTBKG-UHFFFAOYSA-N
XLogP3.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
CID 107883416
1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
4-[(4-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)oxane
CID 107893120
[2-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 107895007
[4-[(4-chloro-3-fluorophenyl)methyl]oxan-4-yl]methanamine
CID 107897457
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
[1-[(3-bromo-4-fluorophenyl)methyl]cyclopropyl]methanol
CID 66024777
[1-[(4-chloro-3-fluorophenyl)methyl]-3,4-dihydro-2H-naphthalen-1-yl]methanol
CID 107894915

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol (CID 107894887) is [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol is OCC1(Cc2ccc(Cl)c(F)c2)CCCC1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol?
The InChIKey is NEJILQZVMLTBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c14-11-4-3-10(7-12(11)15)8-13(9-16)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8-9H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol?
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol has a molecular weight of 242.72 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 107894887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).