1-(2-bromo-5-phenylphenyl)butan-1-one

C16H15BrO — CID 83988643

IUPAC1-(2-bromo-5-phenylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO/c1-2-6-16(18)14-11-13(9-10-15(14)17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyNKLOYYOAQTVGPN-UHFFFAOYSA-N
MW303.20 g/mol
LogP5.10
Rot. Bonds4

About 1-(2-bromo-5-phenylphenyl)butan-1-one

1-(2-bromo-5-phenylphenyl)butan-1-one (PubChem CID 83988643) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(2-bromo-5-phenylphenyl)butan-1-one.

Molecular Properties

Compound Name1-(2-bromo-5-phenylphenyl)butan-1-one
PubChem CID83988643
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-(2-bromo-5-phenylphenyl)butan-1-one
SMILESCCCC(=O)c1cc(-c2ccccc2)ccc1Br
InChIInChI=1S/C16H15BrO/c1-2-6-16(18)14-11-13(9-10-15(14)17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3
InChIKeyNKLOYYOAQTVGPN-UHFFFAOYSA-N
XLogP5.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.20
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-amino-5-phenylphenyl)pentan-1-one
CID 83988023
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
1-(4-phenyl-2-sulfanylphenyl)octan-1-one
CID 68572474
1,1'-biphenyl;propanoyl bromide
CID 175328868
1-(2-bromo-5-chlorophenyl)pentan-1-one
CID 83988325
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
1-phenylbutan-1-one
CID 10315
2-bromo-N-(7-hydroxynaphthalen-1-yl)-5-phenylbenzamide
CID 162689492
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
1-(3-phenyl-1,2-oxazol-5-yl)butan-1-one
CID 10130602
1-(5-amino-2-bromophenyl)undecan-1-one
CID 116602809
1-(2,5-dibromophenyl)-4-phenylbutan-1-one
CID 114969935

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-phenylphenyl)butan-1-one?
The IUPAC name of 1-(2-bromo-5-phenylphenyl)butan-1-one (CID 83988643) is 1-(2-bromo-5-phenylphenyl)butan-1-one.
What is the SMILES notation for 1-(2-bromo-5-phenylphenyl)butan-1-one?
The canonical SMILES for 1-(2-bromo-5-phenylphenyl)butan-1-one is CCCC(=O)c1cc(-c2ccccc2)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-phenylphenyl)butan-1-one?
The InChIKey is NKLOYYOAQTVGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c1-2-6-16(18)14-11-13(9-10-15(14)17)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3.
What are the key properties of 1-(2-bromo-5-phenylphenyl)butan-1-one?
1-(2-bromo-5-phenylphenyl)butan-1-one has a molecular weight of 303.20 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-phenylphenyl)butan-1-one is sourced from PubChem (CID 83988643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).