1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

C15H20ClFO — CID 102856900

IUPAC1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFO/c1-14(2)7-4-8-15(18,10-14)9-11-5-3-6-12(16)13(11)17/h3,5-6,18H,4,7-10H2,1-2H3
InChIKeyXQLLREJPXXDIKJ-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.35
Rot. Bonds2

About 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (PubChem CID 102856900) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
PubChem CID102856900
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFO/c1-14(2)7-4-8-15(18,10-14)9-11-5-3-6-12(16)13(11)17/h3,5-6,18H,4,7-10H2,1-2H3
InChIKeyXQLLREJPXXDIKJ-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
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-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
4-[(3-chloro-2-fluorophenyl)methyl]-4-hydroxycyclohexan-1-one
CID 102856928
8-[(3-chloro-2-fluorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 102856927
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methanamine
CID 102858966
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
2-[(3-chloro-2-fluorophenyl)methyl]-2-methylpyrrolidine
CID 114489584
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
N-[[1-[(3-chloro-2-fluorophenyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 102858970
3-[(3-chloro-2-fluorophenyl)methyl]-2-methyloxolan-3-ol
CID 102857011

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (CID 102856900) is 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(Cc2cccc(Cl)c2F)C1.
What is the InChIKey of 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The InChIKey is XQLLREJPXXDIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-14(2)7-4-8-15(18,10-14)9-11-5-3-6-12(16)13(11)17/h3,5-6,18H,4,7-10H2,1-2H3.
What are the key properties of 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol has a molecular weight of 270.77 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 102856900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).