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

C14H18ClFO — CID 114013678

IUPAC[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10H2
InChIKeyPUBLJKIFRBTFTE-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.96
Rot. Bonds3

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

[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol (PubChem CID 114013678) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
PubChem CID114013678
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
SMILESOCC1(Cc2ccc(Cl)c(F)c2)CCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10H2
InChIKeyPUBLJKIFRBTFTE-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
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
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
[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
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
[1-[(4-propan-2-ylphenyl)methyl]cyclohexyl]methanol
CID 66024781

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol (CID 114013678) is [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol is OCC1(Cc2ccc(Cl)c(F)c2)CCCCC1.
What is the InChIKey of [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol?
The InChIKey is PUBLJKIFRBTFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c15-12-5-4-11(8-13(12)16)9-14(10-17)6-2-1-3-7-14/h4-5,8,17H,1-3,6-7,9-10H2.
What are the key properties of [1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol?
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol has a molecular weight of 256.75 g/mol, XLogP of 3.96, 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]cyclohexyl]methanol is sourced from PubChem (CID 114013678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).