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

C10H9BrF2O3 — CID 131597712

IUPAC1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cccc(O)c1OC(F)F
InChIInChI=1S/C10H9BrF2O3/c1-5(14)8(11)6-3-2-4-7(15)9(6)16-10(12)13/h2-4,8,10,15H,1H3
InChIKeyRUXKJXXUNSBHHS-UHFFFAOYSA-N
MW295.08 g/mol
LogP3.02
Rot. Bonds4

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

1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (PubChem CID 131597712) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
PubChem CID131597712
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cccc(O)c1OC(F)F
InChIInChI=1S/C10H9BrF2O3/c1-5(14)8(11)6-3-2-4-7(15)9(6)16-10(12)13/h2-4,8,10,15H,1H3
InChIKeyRUXKJXXUNSBHHS-UHFFFAOYSA-N
XLogP3.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-1-[3-(difluoromethoxy)-2-methoxyphenyl]propan-2-one
CID 134615829
1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118852546
1-bromo-1-[2-(bromomethyl)-3-hydroxyphenyl]propan-2-one
CID 131030464
1-bromo-1-[3-(difluoromethyl)-2-sulfanylphenyl]propan-2-one
CID 134615851
1-bromo-1-[5-(difluoromethoxy)-2-fluorophenyl]propan-2-one
CID 131320765
1-bromo-1-[2-(difluoromethoxy)-6-methylsulfanylphenyl]propan-2-one
CID 134615686
2-(1-bromo-2-oxopropyl)-6-(difluoromethyl)benzoic acid
CID 170837340
1-bromo-1-[2-(chloromethyl)-3-hydroxyphenyl]propan-2-one
CID 130983745
2-bromo-1-[2-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-1-one
CID 134618580
1-bromo-1-[3-(bromomethyl)-2-(trifluoromethoxy)phenyl]propan-2-one
CID 134615804
1-bromo-1-[4-(difluoromethoxy)-2-methylsulfanylphenyl]propan-2-one
CID 134615938
1-[4-amino-2-(difluoromethoxy)phenyl]-1-bromopropan-2-one
CID 131290072

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one (CID 131597712) is 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is CC(=O)C(Br)c1cccc(O)c1OC(F)F.
What is the InChIKey of 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
The InChIKey is RUXKJXXUNSBHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c1-5(14)8(11)6-3-2-4-7(15)9(6)16-10(12)13/h2-4,8,10,15H,1H3.
What are the key properties of 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one?
1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one has a molecular weight of 295.08 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[2-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 131597712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).