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

C9H8BrClO2 — CID 62381030

IUPAC1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3
InChIKeyFUVWMWBWOXKIFZ-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.40
Rot. Bonds2

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

1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one (PubChem CID 62381030) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
PubChem CID62381030
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Cl)cc(Br)c1O
InChIInChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3
InChIKeyFUVWMWBWOXKIFZ-UHFFFAOYSA-N
XLogP3.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.52
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-5-chloro-2-methoxyphenyl)propan-1-one
CID 82630867
methyl 3-bromo-5-chloro-2-hydroxybenzoate
CID 53419622
2,6-dibromo-4-chlorophenol
CID 21394
1-(2-hydroxy-5-methyl-3-propanoylphenyl)propan-1-one
CID 71333475
1-(5-bromo-2-hydroxy-3-iodophenyl)propan-1-one
CID 86079871
1-(3-bromo-5-fluoro-2-hydroxyphenyl)butan-1-one
CID 62381220
(3-bromo-5-chloro-2-hydroxyphenyl)-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 100645093
(E)-1-(3-bromo-5-chloro-2-hydroxyphenyl)-3-(2-ethoxyphenyl)prop-2-en-1-one
CID 154726872
1-(3-bromo-2-hydroxy-5-methoxyphenyl)-2-(methylamino)ethanone
CID 84713744
1-(3,5-dichloro-2-hydroxyphenyl)octan-1-one
CID 21284637
3-amino-1-(3-bromo-5-ethyl-2-hydroxyphenyl)propan-1-one
CID 117432660
1-(2-amino-5-bromo-3-chlorophenyl)propan-1-one
CID 66920482

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one?
The IUPAC name of 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one (CID 62381030) is 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one?
The canonical SMILES for 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one is CCC(=O)c1cc(Cl)cc(Br)c1O.
What is the InChIKey of 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one?
The InChIKey is FUVWMWBWOXKIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-2-8(12)6-3-5(11)4-7(10)9(6)13/h3-4,13H,2H2,1H3.
What are the key properties of 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one?
1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one has a molecular weight of 263.52 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-hydroxyphenyl)propan-1-one is sourced from PubChem (CID 62381030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).