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

C12H15BrO — CID 107891390

IUPAC1-(2-bromophenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyNWHQTFHNDCQOFA-UHFFFAOYSA-N
MW255.15 g/mol
LogP4.07
Rot. Bonds4

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

1-(2-bromophenyl)-2-methylpentan-1-one (PubChem CID 107891390) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-methylpentan-1-one
PubChem CID107891390
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name1-(2-bromophenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1ccccc1Br
InChIInChI=1S/C12H15BrO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9H,3,6H2,1-2H3
InChIKeyNWHQTFHNDCQOFA-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-methylpentan-1-one?
The IUPAC name of 1-(2-bromophenyl)-2-methylpentan-1-one (CID 107891390) is 1-(2-bromophenyl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2-bromophenyl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2-bromophenyl)-2-methylpentan-1-one is CCCC(C)C(=O)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-methylpentan-1-one?
The InChIKey is NWHQTFHNDCQOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-methylpentan-1-one?
1-(2-bromophenyl)-2-methylpentan-1-one has a molecular weight of 255.15 g/mol, XLogP of 4.07, 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-1-one is sourced from PubChem (CID 107891390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).