1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one

C10H10BrClO2 — CID 130983745

IUPAC1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cccc(O)c1CCl
InChIInChI=1S/C10H10BrClO2/c1-6(13)10(11)7-3-2-4-9(14)8(7)5-12/h2-4,10,14H,5H2,1H3
InChIKeyQGVOGMXXHDTMLX-UHFFFAOYSA-N
MW277.55 g/mol
LogP3.16
Rot. Bonds3

About 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one

1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one (PubChem CID 130983745) has the molecular formula C10H10BrClO2 and a molecular weight of 277.55 g/mol. Its IUPAC name is 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
PubChem CID130983745
Molecular FormulaC10H10BrClO2
Molecular Weight277.55 g/mol
Exact Mass275.96
IUPAC Name1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cccc(O)c1CCl
InChIInChI=1S/C10H10BrClO2/c1-6(13)10(11)7-3-2-4-9(14)8(7)5-12/h2-4,10,14H,5H2,1H3
InChIKeyQGVOGMXXHDTMLX-UHFFFAOYSA-N
XLogP3.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 53.16
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-[2-(bromomethyl)-3-hydroxyphenyl]propan-2-one
CID 131030464
1-bromo-1-[2-(chloromethyl)-3-fluorophenyl]propan-2-one
CID 130781651
1-bromo-1-[2-(bromomethyl)-3-chlorophenyl]propan-2-one
CID 131118990
1-bromo-1-(2-ethyl-3-sulfanylphenyl)propan-2-one
CID 131093606
1-bromo-1-[3-(chloromethyl)-2-methylsulfanylphenyl]propan-2-one
CID 131388251
1-bromo-1-(2-ethylphenyl)propan-2-one
CID 130785743
1-bromo-1-[3-(bromomethyl)-2-ethylphenyl]propan-2-one
CID 131495674
2-[2-(1-bromo-2-oxopropyl)-6-sulfanylphenyl]acetonitrile
CID 170837369
2-[2-(1-bromo-2-oxopropyl)-6-formylphenyl]acetic acid
CID 170837352
1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 131597712
1-(3-amino-2-methylphenyl)-1-bromopropan-2-one
CID 118837938
1-bromo-1-(2-methyl-3-sulfanylphenyl)propan-2-one
CID 130777717

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one (CID 130983745) is 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one is CC(=O)C(Br)c1cccc(O)c1CCl.
What is the InChIKey of 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one?
The InChIKey is QGVOGMXXHDTMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO2/c1-6(13)10(11)7-3-2-4-9(14)8(7)5-12/h2-4,10,14H,5H2,1H3.
What are the key properties of 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one?
1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one has a molecular weight of 277.55 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 130983745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).