1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone

C11H12BrClO2 — CID 86677773

IUPAC1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
SMILESCCOc1c(C(C)=O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H12BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5H,4H2,1-3H3
InChIKeyLODFONIHNLFXBH-UHFFFAOYSA-N
MW291.57 g/mol
LogP4.01
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone

1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone (PubChem CID 86677773) has the molecular formula C11H12BrClO2 and a molecular weight of 291.57 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
PubChem CID86677773
Molecular FormulaC11H12BrClO2
Molecular Weight291.57 g/mol
Exact Mass289.97
IUPAC Name1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone
SMILESCCOc1c(C(C)=O)cc(Cl)c(C)c1Br
InChIInChI=1S/C11H12BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5H,4H2,1-3H3
InChIKeyLODFONIHNLFXBH-UHFFFAOYSA-N
XLogP4.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-ethoxy-3-(hydroxyamino)-4-methylphenyl]ethanone
CID 145307696
(1S)-1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanol
CID 129411004
1-(5-chloro-2-ethoxy-3-methylphenyl)ethanone
CID 83885927
1-(5-chloro-2-methoxy-3,4-dimethylphenyl)ethanone
CID 83885925
3-acetyl-5-bromo-2-ethoxybenzonitrile
CID 171001173
ethyl 5-chloro-2,3,4-triethoxybenzoate
CID 96709826
1-(2,4-dichloro-5-ethoxyphenyl)ethanone
CID 171007863
1-[3-bromo-2-ethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 171001210
ethyl 4-bromo-2-chloro-3,5-diethoxybenzoate
CID 155595638
1-(2-ethoxy-3,5-difluorophenyl)ethanone
CID 83880634
1-(5-chloro-2-ethoxy-3,6-dimethylphenyl)butan-1-one
CID 82266724
5-chloro-2-ethoxy-3,6-dimethylbenzamide
CID 82266739

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone?
The IUPAC name of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone (CID 86677773) is 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone?
The canonical SMILES for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone is CCOc1c(C(C)=O)cc(Cl)c(C)c1Br.
What is the InChIKey of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone?
The InChIKey is LODFONIHNLFXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrClO2/c1-4-15-11-8(7(3)14)5-9(13)6(2)10(11)12/h5H,4H2,1-3H3.
What are the key properties of 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone?
1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone has a molecular weight of 291.57 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-ethoxy-4-methylphenyl)ethanone is sourced from PubChem (CID 86677773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).