1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

C15H20BrFO — CID 65149503

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C15H20BrFO/c1-14(2)6-3-7-15(18,10-14)9-11-4-5-12(16)8-13(11)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3
InChIKeyWECVILYASTUHIB-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.46
Rot. Bonds2

About 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol

1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (PubChem CID 65149503) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
PubChem CID65149503
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
SMILESCC1(C)CCCC(O)(Cc2ccc(Br)cc2F)C1
InChIInChI=1S/C15H20BrFO/c1-14(2)6-3-7-15(18,10-14)9-11-4-5-12(16)8-13(11)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3
InChIKeyWECVILYASTUHIB-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147432
1-[(3-chloro-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 102856900
1-[(3,5-difluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 105402555
1-[(5-bromo-2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65147295
1-[(4-chloro-2-fluorophenyl)methyl]cyclobutan-1-ol
CID 114852385
[1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcyclohexyl]methanamine
CID 65392363
N-[(4-bromo-2-fluorophenyl)methyl]-1-methylcyclobutan-1-amine
CID 115765891
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
6-bromo-2-[(2,4-difluorophenyl)methyl]-3,4-dihydro-1H-naphthalen-2-ol
CID 63633059
2-(4-bromo-2-fluorophenyl)-1-(1-methylcyclopentyl)ethanone
CID 114968454

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol (CID 65149503) is 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is CC1(C)CCCC(O)(Cc2ccc(Br)cc2F)C1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
The InChIKey is WECVILYASTUHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-14(2)6-3-7-15(18,10-14)9-11-4-5-12(16)8-13(11)17/h4-5,8,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol?
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol is sourced from PubChem (CID 65149503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).