1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol

C14H18ClFO — CID 107883416

IUPAC1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)CCCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-6-5-11(9-13(12)16)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2
InChIKeyOTMLJODMXAVQES-UHFFFAOYSA-N
MW256.75 g/mol
LogP4.11
Rot. Bonds2

About 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol

1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol (PubChem CID 107883416) has the molecular formula C14H18ClFO and a molecular weight of 256.75 g/mol. Its IUPAC name is 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
PubChem CID107883416
Molecular FormulaC14H18ClFO
Molecular Weight256.75 g/mol
Exact Mass256.10
IUPAC Name1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol
SMILESOC1(Cc2ccc(Cl)c(F)c2)CCCCCC1
InChIInChI=1S/C14H18ClFO/c15-12-6-5-11(9-13(12)16)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2
InChIKeyOTMLJODMXAVQES-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883405
1-[(3-chloro-4-fluorophenyl)methyl]cyclobutan-1-ol
CID 103039079
[1-[(4-chloro-3-fluorophenyl)methyl]cyclohexyl]methanol
CID 114013678
4-[(4-chloro-3-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 107883599
[1-[(4-chloro-3-fluorophenyl)methyl]cyclopentyl]methanol
CID 107894887
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
3-[(4-chloro-3-fluorophenyl)methyl]oxolan-3-ol
CID 107883464
4-tert-butyl-1-[(4-chloro-3-fluorophenyl)methyl]cyclohexan-1-ol
CID 107883412
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(4-chloro-3-fluorophenyl)methyl]-2,2-dimethylcyclopentan-1-ol
CID 107883637
2-(4-chloro-3-fluorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 114012649
1-[(4-chloro-3-fluorophenyl)methyl]cyclohex-2-en-1-ol
CID 107883733

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol (CID 107883416) is 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol is OC1(Cc2ccc(Cl)c(F)c2)CCCCCC1.
What is the InChIKey of 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol?
The InChIKey is OTMLJODMXAVQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFO/c15-12-6-5-11(9-13(12)16)10-14(17)7-3-1-2-4-8-14/h5-6,9,17H,1-4,7-8,10H2.
What are the key properties of 1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol?
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptan-1-ol has a molecular weight of 256.75 g/mol, XLogP of 4.11, 2 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]cycloheptan-1-ol is sourced from PubChem (CID 107883416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).