1-(3-bromo-2-methylphenyl)propan-2-one

C10H11BrO — CID 83709858

IUPAC1-(3-bromo-2-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Br)c1C
InChIInChI=1S/C10H11BrO/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5H,6H2,1-2H3
InChIKeySZEWIRWBOJGPAK-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.89
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)propan-2-one

1-(3-bromo-2-methylphenyl)propan-2-one (PubChem CID 83709858) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)propan-2-one
PubChem CID83709858
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name1-(3-bromo-2-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cccc(Br)c1C
InChIInChI=1S/C10H11BrO/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5H,6H2,1-2H3
InChIKeySZEWIRWBOJGPAK-UHFFFAOYSA-N
XLogP2.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
1-[3-bromo-2-(chloromethyl)phenyl]propan-2-one
CID 131050773
methyl 2-bromo-6-(2-oxopropyl)benzoate
CID 134648674
1-[2-bromo-6-(chloromethyl)phenyl]propan-2-one
CID 118821090
3-bromo-2-methylaniline;1-bromo-2-methyl-3-(2-methylpropyl)benzene;propan-2-one
CID 159765875
1-bromo-2-methyl-3-propylbenzene
CID 143344358
1-(2-bromo-3-chlorophenyl)propan-2-one
CID 83724712
3-[(3-bromo-2-methylphenyl)methylsulfanyl]propanamide
CID 84592426
1-bromo-3-(isocyanatomethyl)-2-methylbenzene
CID 117324681
(3-bromo-2-methylphenyl)methanesulfinate
CID 174525982
1-(2,3,4-trimethylphenyl)propan-2-one
CID 71371849
1-(5-methylnaphthalen-1-yl)propan-2-one
CID 59096635

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)propan-2-one?
The IUPAC name of 1-(3-bromo-2-methylphenyl)propan-2-one (CID 83709858) is 1-(3-bromo-2-methylphenyl)propan-2-one.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)propan-2-one?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)propan-2-one is CC(=O)Cc1cccc(Br)c1C.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)propan-2-one?
The InChIKey is SZEWIRWBOJGPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c1-7(12)6-9-4-3-5-10(11)8(9)2/h3-5H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)propan-2-one?
1-(3-bromo-2-methylphenyl)propan-2-one has a molecular weight of 227.10 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)propan-2-one is sourced from PubChem (CID 83709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).