1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one

C10H10BrClO2 — CID 82630867

IUPAC1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H10BrClO2/c1-3-9(13)7-4-6(12)5-8(11)10(7)14-2/h4-5H,3H2,1-2H3
InChIKeyIHTNQYVNSXPWIL-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.70
Rot. Bonds3

About 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one

1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one (PubChem CID 82630867) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
PubChem CID82630867
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)cc(Br)c1OC
InChIInChI=1S/C10H10BrClO2/c1-3-9(13)7-4-6(12)5-8(11)10(7)14-2/h4-5H,3H2,1-2H3
InChIKeyIHTNQYVNSXPWIL-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
CID 62381030
3-bromo-5-chloro-N-(4-chlorophenyl)-2-methoxybenzamide
CID 67556921
2-bromo-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82630845
ethyl 3-bromo-5-chloro-2-ethoxybenzoate
CID 50880228
ethyl 5-(3-bromo-5-chloro-2-methoxyphenyl)-2H-triazole-4-carboxylate
CID 169400537
2-amino-1-(3-bromo-2-methoxy-5-methylphenyl)ethanone
CID 82623539
N-(3-bromo-5-chloro-2-methoxyphenyl)-2-(methylamino)acetamide
CID 43704379
1-(3-bromo-5-tert-butyl-2-methoxyphenyl)-2-(methylamino)ethanone
CID 117499837
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
3-amino-1-(3,5-dichloro-2-methoxyphenyl)propan-1-one
CID 82296158
1-bromo-5-chloro-3-fluoro-2-methoxybenzene
CID 3863039
methyl 3-bromo-2,5-dichlorobenzoate
CID 57362641

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one (CID 82630867) is 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one is CCC(=O)c1cc(Cl)cc(Br)c1OC.
What is the InChIKey of 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one?
The InChIKey is IHTNQYVNSXPWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-3-9(13)7-4-6(12)5-8(11)10(7)14-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one?
1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one has a molecular weight of 277.54 g/mol, XLogP of 3.70, 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-methoxyphenyl)propan-1-one is sourced from PubChem (CID 82630867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).