3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one

C17H23BrO — CID 155932036

IUPAC3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one
SMILESCC(C)(Cc1ccccc1Br)C(=O)C1CCCCC1
InChIInChI=1S/C17H23BrO/c1-17(2,12-14-10-6-7-11-15(14)18)16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyRYNKAVAQSPNROO-UHFFFAOYSA-N
MW323.27 g/mol
LogP5.17
Rot. Bonds4

About 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one

3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one (PubChem CID 155932036) has the molecular formula C17H23BrO and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one
PubChem CID155932036
Molecular FormulaC17H23BrO
Molecular Weight323.27 g/mol
Exact Mass322.09
IUPAC Name3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one
SMILESCC(C)(Cc1ccccc1Br)C(=O)C1CCCCC1
InChIInChI=1S/C17H23BrO/c1-17(2,12-14-10-6-7-11-15(14)18)16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3
InChIKeyRYNKAVAQSPNROO-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.27
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
1-(2-bromophenyl)-4-cyclohexylbutan-2-one
CID 114962504
2-amino-3-(2-bromophenyl)-2-methylpropanoic acid
CID 53401931
3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457619
1-(2-bromophenyl)-3,3-dimethylbutan-2-one
CID 59617524
N-[(2-bromophenyl)methyl]-2-cycloheptyl-N-methylacetamide
CID 114457955
N-[(2-bromophenyl)methyl]-2-tert-butylcyclohexan-1-amine
CID 43433174
[1-(2-bromophenyl)-2-methylpropan-2-yl]azanium
CID 156884808
1-bromo-2-(2,2-difluoropropyl)benzene
CID 84698254
N-[(2S)-2-[(2-bromophenyl)methyl]-3-hydroxypropyl]cyclohexanecarboxamide
CID 100634985
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboximidamide
CID 63177867
1-(2-bromophenyl)-2-phenylpropan-2-ol
CID 60798344

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one?
The IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one (CID 155932036) is 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one is CC(C)(Cc1ccccc1Br)C(=O)C1CCCCC1.
What is the InChIKey of 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one?
The InChIKey is RYNKAVAQSPNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrO/c1-17(2,12-14-10-6-7-11-15(14)18)16(19)13-8-4-3-5-9-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one?
3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one has a molecular weight of 323.27 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-cyclohexyl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 155932036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).