5-(4-bromophenyl)-4-methylpentan-2-one

C12H15BrO — CID 64718506

IUPAC5-(4-bromophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO/c1-9(7-10(2)14)8-11-3-5-12(13)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyIHNHZWUNXCXLHP-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.61
Rot. Bonds4

About 5-(4-bromophenyl)-4-methylpentan-2-one

5-(4-bromophenyl)-4-methylpentan-2-one (PubChem CID 64718506) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-methylpentan-2-one
PubChem CID64718506
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name5-(4-bromophenyl)-4-methylpentan-2-one
SMILESCC(=O)CC(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrO/c1-9(7-10(2)14)8-11-3-5-12(13)6-4-11/h3-6,9H,7-8H2,1-2H3
InChIKeyIHNHZWUNXCXLHP-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

(3S)-1-(4-bromophenyl)-3-methylhexane-1,5-dione
CID 51567159
4-[(2S)-2-aminopropyl]phenol;(4S)-5-(4-hydroxyphenyl)-4-methylpentan-2-one;hydrochloride
CID 158091851
4-methyl-5-(4-phenoxyphenyl)pentan-2-one
CID 83938966
(2S)-3-(4-bromophenyl)-2-methylpropanoic acid
CID 59063206
5-(4-hydroxy-3-methylphenyl)-4-methylpentan-2-one
CID 83922980
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
5-(3,5-dichlorophenyl)-4-methylpentan-2-one
CID 83924807
5-(3,4-diethoxyphenyl)-4-methylpentan-2-one
CID 83923565
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
5-(3-chlorophenyl)-4-methylpentan-2-one
CID 64721392
2-amino-1-(4-bromophenyl)pentan-3-one
CID 77428237
ethyl (2S)-3-(4-bromophenyl)-2-methylpropanoate
CID 129395857

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-methylpentan-2-one?
The IUPAC name of 5-(4-bromophenyl)-4-methylpentan-2-one (CID 64718506) is 5-(4-bromophenyl)-4-methylpentan-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-4-methylpentan-2-one?
The canonical SMILES for 5-(4-bromophenyl)-4-methylpentan-2-one is CC(=O)CC(C)Cc1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-4-methylpentan-2-one?
The InChIKey is IHNHZWUNXCXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-9(7-10(2)14)8-11-3-5-12(13)6-4-11/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 5-(4-bromophenyl)-4-methylpentan-2-one?
5-(4-bromophenyl)-4-methylpentan-2-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 5-(4-bromophenyl)-4-methylpentan-2-one is sourced from PubChem (CID 64718506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).