3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one

C15H19BrO2 — CID 103457619

IUPAC3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
SMILESO=C(Cc1ccccc1Br)C(O)C1CCCCC1
InChIInChI=1S/C15H19BrO2/c16-13-9-5-4-8-12(13)10-14(17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,15,18H,1-3,6-7,10H2
InChIKeyYXZWWDXKSKJUOF-UHFFFAOYSA-N
MW311.22 g/mol
LogP3.50
Rot. Bonds4

About 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one

3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one (PubChem CID 103457619) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
PubChem CID103457619
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
SMILESO=C(Cc1ccccc1Br)C(O)C1CCCCC1
InChIInChI=1S/C15H19BrO2/c16-13-9-5-4-8-12(13)10-14(17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,15,18H,1-3,6-7,10H2
InChIKeyYXZWWDXKSKJUOF-UHFFFAOYSA-N
XLogP3.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
1-cyclohexyl-3-(2,3-dihydro-1H-inden-5-yl)-1-hydroxypropan-2-one
CID 103457560
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
1-(2-bromophenyl)-4-cyclohexylbutan-2-one
CID 114962504
3-(4-chloro-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457499
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
[1-(2-bromophenyl)-3-chloropropan-2-yl]cycloheptane
CID 82945808
3-(2-bromophenyl)-2-(2-hydroxycycloheptyl)propanoic acid
CID 79418747
N-[(2-bromophenyl)methyl]-N-methylcyclohexanecarboxamide
CID 60630961
1-cyclopropyl-3-(2,6-dimethylphenyl)-1-hydroxypropan-2-one
CID 103455788
1-(2-aminocyclohexyl)-2-(2-bromophenyl)ethanone
CID 116579842
[2-(2-bromophenyl)-1-cyclohexylethyl]hydrazine
CID 105201966

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The IUPAC name of 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one (CID 103457619) is 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one.
What is the SMILES notation for 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The canonical SMILES for 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one is O=C(Cc1ccccc1Br)C(O)C1CCCCC1.
What is the InChIKey of 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
The InChIKey is YXZWWDXKSKJUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c16-13-9-5-4-8-12(13)10-14(17)15(18)11-6-2-1-3-7-11/h4-5,8-9,11,15,18H,1-3,6-7,10H2.
What are the key properties of 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one?
3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one has a molecular weight of 311.22 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-cyclohexyl-1-hydroxypropan-2-one is sourced from PubChem (CID 103457619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).