1-(2-bromophenyl)-2-methylpentan-3-one

C12H15BrO — CID 10967063

IUPAC1-(2-bromophenyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1ccccc1Br
InChIInChI=1S/C12H15BrO/c1-3-12(14)9(2)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3
InChIKeyLPWUSQOHAQCVSA-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.61
Rot. Bonds4

About 1-(2-bromophenyl)-2-methylpentan-3-one

1-(2-bromophenyl)-2-methylpentan-3-one (PubChem CID 10967063) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-methylpentan-3-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-methylpentan-3-one
PubChem CID10967063
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(2-bromophenyl)-2-methylpentan-3-one
SMILESCCC(=O)C(C)Cc1ccccc1Br
InChIInChI=1S/C12H15BrO/c1-3-12(14)9(2)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3
InChIKeyLPWUSQOHAQCVSA-UHFFFAOYSA-N
XLogP3.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromophenyl)pentane-2,3-dione
CID 173141263
2-[(2-bromophenyl)methyl]-4-methylhexanoic acid
CID 63401905
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
2-[(2-bromophenyl)methyl]-4-methylpentanoic acid;hydrochloride
CID 67084816
(2R)-2-[2-[(2-bromophenyl)methyl]butanoylamino]propanoic acid
CID 119370013
(2R)-1-(2-bromophenyl)pentan-2-ol
CID 93312348
2-amino-3-(2-bromophenyl)propanamide
CID 15926062
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
[2-(2-bromophenyl)acetyl] propanoate
CID 90987383
2-[(2-bromophenyl)methyl]-3-methylbutan-1-ol
CID 66060049
1-(2-bromophenyl)-1-hydroxybutan-2-one
CID 51032688
2-[(2-bromophenyl)methyl]-3-ethoxypropanoic acid
CID 103984138

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-methylpentan-3-one?
The IUPAC name of 1-(2-bromophenyl)-2-methylpentan-3-one (CID 10967063) is 1-(2-bromophenyl)-2-methylpentan-3-one.
What is the SMILES notation for 1-(2-bromophenyl)-2-methylpentan-3-one?
The canonical SMILES for 1-(2-bromophenyl)-2-methylpentan-3-one is CCC(=O)C(C)Cc1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-methylpentan-3-one?
The InChIKey is LPWUSQOHAQCVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-3-12(14)9(2)8-10-6-4-5-7-11(10)13/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-methylpentan-3-one?
1-(2-bromophenyl)-2-methylpentan-3-one has a molecular weight of 255.15 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-methylpentan-3-one is sourced from PubChem (CID 10967063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).