(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one

C17H17BrO — CID 102486648

IUPAC(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
SMILESCC[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3/t13-/m1/s1
InChIKeyJPUPHOOXCFRPQX-CYBMUJFWSA-N
MW317.23 g/mol
LogP5.22
Rot. Bonds5

About (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one

(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one (PubChem CID 102486648) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one.

Molecular Properties

Compound Name(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
PubChem CID102486648
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one
SMILESCC[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3/t13-/m1/s1
InChIKeyJPUPHOOXCFRPQX-CYBMUJFWSA-N
XLogP5.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.23
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,3-diphenylpentan-1-one
CID 11042799
3-(4-chlorophenyl)-1-phenylpentan-1-one
CID 11391641
(3S)-3-(3-chlorophenyl)-1-phenylpentan-1-one
CID 58517183
S-[1-(4-bromophenyl)-3-oxo-3-phenylpropyl] ethanethioate
CID 54590097
1-(4-bromophenyl)-3-phenylbutan-1-one
CID 143974800
4-(4-bromophenyl)-2-methyl-1-phenylbutane-1,4-dione
CID 173018498
1-(3-methoxyphenyl)-3-phenylpentan-1-one
CID 72785339
3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
(3S)-1,3-diphenylhex-5-en-1-one
CID 11288162
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
4-(6-methyl-1-oxo-1-phenylhept-5-en-3-yl)benzoic acid
CID 134948224
ethane;3-phenylpentanoic acid
CID 142147200

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one?
The IUPAC name of (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one (CID 102486648) is (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one.
What is the SMILES notation for (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one?
The canonical SMILES for (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one is CC[C@H](CC(=O)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one?
The InChIKey is JPUPHOOXCFRPQX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17BrO/c1-2-13(14-8-10-16(18)11-9-14)12-17(19)15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3/t13-/m1/s1.
What are the key properties of (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one?
(3R)-3-(4-bromophenyl)-1-phenylpentan-1-one has a molecular weight of 317.23 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-bromophenyl)-1-phenylpentan-1-one is sourced from PubChem (CID 102486648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).