1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one

C9H8BrClO2 — CID 130780288

IUPAC1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(Br)c1ccc(Cl)cc1O
InChIInChI=1S/C9H8BrClO2/c1-5(12)9(10)7-3-2-6(11)4-8(7)13/h2-4,9,13H,1H3
InChIKeyKSHLZYGLRZKUIQ-UHFFFAOYSA-N
MW263.52 g/mol
LogP3.07
Rot. Bonds2

About 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one

1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one (PubChem CID 130780288) has the molecular formula C9H8BrClO2 and a molecular weight of 263.52 g/mol. Its IUPAC name is 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
PubChem CID130780288
Molecular FormulaC9H8BrClO2
Molecular Weight263.52 g/mol
Exact Mass261.94
IUPAC Name1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one
SMILESCC(=O)C(Br)c1ccc(Cl)cc1O
InChIInChI=1S/C9H8BrClO2/c1-5(12)9(10)7-3-2-6(11)4-8(7)13/h2-4,9,13H,1H3
InChIKeyKSHLZYGLRZKUIQ-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-(4-chloro-2-methylsulfanylphenyl)propan-2-one
CID 131054365
1-bromo-1-[5-chloro-2-(hydroxymethyl)phenyl]propan-2-one
CID 130864232
1-bromo-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131061546
1-bromo-1-[5-chloro-2-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640445
1-bromo-1-[2-hydroxy-4-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 170837283
5-chloro-2-(1-hydroxy-2-methylpropyl)phenol
CID 13333883
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
2-[4-(1-bromo-2-oxopropyl)-2-hydroxyphenyl]-2-hydroxyacetic acid
CID 118835510
5-chloro-2-(1,2-diaminoethyl)phenol
CID 55273354
1-bromo-1-(2-fluoro-5-sulfanylphenyl)propan-2-one
CID 131170056
1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
CID 130983745
1-(4-chloro-2-hydroxyphenyl)-2-hydroxy-2-oxoethanediazonium
CID 21183684

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one (CID 130780288) is 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one is CC(=O)C(Br)c1ccc(Cl)cc1O.
What is the InChIKey of 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one?
The InChIKey is KSHLZYGLRZKUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClO2/c1-5(12)9(10)7-3-2-6(11)4-8(7)13/h2-4,9,13H,1H3.
What are the key properties of 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one?
1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one has a molecular weight of 263.52 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-(4-chloro-2-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 130780288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).