5-(4-bromophenyl)-1-phenylpentan-2-one

C17H17BrO — CID 157218581

IUPAC5-(4-bromophenyl)-1-phenylpentan-2-one
SMILESO=C(CCCc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C17H17BrO/c18-16-11-9-14(10-12-16)7-4-8-17(19)13-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2
InChIKeyHIHXFXSLIWOXRG-UHFFFAOYSA-N
MW317.23 g/mol
LogP4.58
Rot. Bonds6

About 5-(4-bromophenyl)-1-phenylpentan-2-one

5-(4-bromophenyl)-1-phenylpentan-2-one (PubChem CID 157218581) has the molecular formula C17H17BrO and a molecular weight of 317.23 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-phenylpentan-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-phenylpentan-2-one
PubChem CID157218581
Molecular FormulaC17H17BrO
Molecular Weight317.23 g/mol
Exact Mass316.05
IUPAC Name5-(4-bromophenyl)-1-phenylpentan-2-one
SMILESO=C(CCCc1ccc(Br)cc1)Cc1ccccc1
InChIInChI=1S/C17H17BrO/c18-16-11-9-14(10-12-16)7-4-8-17(19)13-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2
InChIKeyHIHXFXSLIWOXRG-UHFFFAOYSA-N
XLogP4.58
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.23
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 61079516
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CID 157299042
4-(4-bromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)butanoic acid
CID 50940550
1,9-diphenylnonan-5-one
CID 23467830
6-amino-1-(4-bromophenyl)hexan-2-one
CID 116572013
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
8-amino-1-phenyloctan-4-one
CID 116571907
4-[4-(4-bromophenyl)phenyl]butanoic acid
CID 21437969
1-(4-bromophenyl)-6,6,6-trifluorohexan-2-one
CID 115515755
8-oxo-9-phenylnonanoic acid
CID 58119944
1-(4-bromophenyl)-5-ethylsulfonylpentan-2-one
CID 65097891
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-phenylpentan-2-one?
The IUPAC name of 5-(4-bromophenyl)-1-phenylpentan-2-one (CID 157218581) is 5-(4-bromophenyl)-1-phenylpentan-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-phenylpentan-2-one?
The canonical SMILES for 5-(4-bromophenyl)-1-phenylpentan-2-one is O=C(CCCc1ccc(Br)cc1)Cc1ccccc1.
What is the InChIKey of 5-(4-bromophenyl)-1-phenylpentan-2-one?
The InChIKey is HIHXFXSLIWOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrO/c18-16-11-9-14(10-12-16)7-4-8-17(19)13-15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8,13H2.
What are the key properties of 5-(4-bromophenyl)-1-phenylpentan-2-one?
5-(4-bromophenyl)-1-phenylpentan-2-one has a molecular weight of 317.23 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-phenylpentan-2-one is sourced from PubChem (CID 157218581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).