1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one

C10H10BrClO2 — CID 62381217

IUPAC1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C10H10BrClO2/c1-2-3-9(13)7-4-6(11)5-8(12)10(7)14/h4-5,14H,2-3H2,1H3
InChIKeyMNOZAJKNBGOFIX-UHFFFAOYSA-N
MW277.54 g/mol
LogP3.79
Rot. Bonds3

About 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one

1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one (PubChem CID 62381217) has the molecular formula C10H10BrClO2 and a molecular weight of 277.54 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
PubChem CID62381217
Molecular FormulaC10H10BrClO2
Molecular Weight277.54 g/mol
Exact Mass275.96
IUPAC Name1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one
SMILESCCCC(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C10H10BrClO2/c1-2-3-9(13)7-4-6(11)5-8(12)10(7)14/h4-5,14H,2-3H2,1H3
InChIKeyMNOZAJKNBGOFIX-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-3-chloro-2-hydroxyphenyl)-3-methylbutan-1-one
CID 62379748
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
1-(2,5-dibromo-4-butanoylphenyl)butan-1-one
CID 126580916
3-amino-1-(5-bromo-2-hydroxy-3-methylphenyl)propan-1-one
CID 117398348
1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
CID 62381220
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(5-chloro-2-hydroxy-3,6-dimethylphenyl)butan-1-one
CID 82266653
1-(2-amino-5-bromo-3-chlorophenyl)propan-1-one
CID 66920482
1-(4-bromo-2-chlorophenyl)undecan-1-one
CID 114968877
1-(5-bromo-2-chlorophenyl)-4-ethylsulfonylbutan-1-one
CID 114974512
1-(5-bromo-2-methyl-3-nitrophenyl)butan-1-one
CID 121380949
1-(5-bromo-2-hydroxy-3-iodophenyl)propan-1-one
CID 86079871

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one?
The IUPAC name of 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one (CID 62381217) is 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one?
The canonical SMILES for 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one is CCCC(=O)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one?
The InChIKey is MNOZAJKNBGOFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-2-3-9(13)7-4-6(11)5-8(12)10(7)14/h4-5,14H,2-3H2,1H3.
What are the key properties of 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one?
1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one has a molecular weight of 277.54 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-hydroxyphenyl)butan-1-one is sourced from PubChem (CID 62381217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).