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

C13H16ClFO — CID 103041961

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

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

[1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol (PubChem CID 103041961) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol
PubChem CID103041961
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name[1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol
SMILESOCC1(Cc2ccc(F)c(Cl)c2)CCCC1
InChIInChI=1S/C13H16ClFO/c14-11-7-10(3-4-12(11)15)8-13(9-16)5-1-2-6-13/h3-4,7,16H,1-2,5-6,8-9H2
InChIKeyVASILLRZNIEGTF-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

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3-Chloro-4-fluorophenethyl alcohol
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1-(3-Chloro-4-fluorophenyl)pentan-3-ol
CID 103040809
5-(3-Chlorophenyl)pentan-1-ol
CID 68486230
1-(p-Chlorophenyl)cyclopentanemethanol
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2-(3-Chlorophenyl)cyclopentan-1-ol
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Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol?
The IUPAC name of [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol (CID 103041961) is [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol.
What is the SMILES notation for [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol?
The canonical SMILES for [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol is OCC1(Cc2ccc(F)c(Cl)c2)CCCC1.
What is the InChIKey of [1-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol?
The InChIKey is VASILLRZNIEGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c14-11-7-10(3-4-12(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-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol?
[1-[(3-chloro-4-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-[(3-chloro-4-fluorophenyl)methyl]cyclopentyl]methanol is sourced from PubChem (CID 103041961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).