1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one

C10H9BrF2O3 — CID 134616422

IUPAC1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C10H9BrF2O3/c11-5-7(14)3-6-1-2-8(15)9(4-6)16-10(12)13/h1-2,4,10,15H,3,5H2
InChIKeyHPSIQLXAUZLTHD-UHFFFAOYSA-N
MW295.08 g/mol
LogP2.50
Rot. Bonds5

About 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one

1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one (PubChem CID 134616422) has the molecular formula C10H9BrF2O3 and a molecular weight of 295.08 g/mol. Its IUPAC name is 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
PubChem CID134616422
Molecular FormulaC10H9BrF2O3
Molecular Weight295.08 g/mol
Exact Mass293.97
IUPAC Name1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one
SMILESO=C(CBr)Cc1ccc(O)c(OC(F)F)c1
InChIInChI=1S/C10H9BrF2O3/c11-5-7(14)3-6-1-2-8(15)9(4-6)16-10(12)13/h1-2,4,10,15H,3,5H2
InChIKeyHPSIQLXAUZLTHD-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.08
LogP ≤ 52.50
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-3-[4-(chloromethyl)-3-(difluoromethoxy)phenyl]propan-2-one
CID 134624879
1-bromo-3-[4-(difluoromethoxy)-3-(difluoromethyl)phenyl]propan-2-one
CID 134624892
ethyl 5-(3-bromo-2-oxopropyl)-2-(difluoromethoxy)benzoate
CID 134643050
4-(3-chloropropyl)-2-(difluoromethoxy)phenol
CID 118807022
1-[4-(difluoromethoxy)-3-hydroxyphenyl]propan-2-one
CID 118835915
ethyl 3-[3-(difluoromethoxy)-4-hydroxyphenyl]propanoate
CID 134632501
1-bromo-3-[2-(difluoromethoxy)-5-methoxyphenyl]propan-2-one
CID 134616094
1-bromo-3-[3-(difluoromethoxy)-2-methylphenyl]propan-2-one
CID 134616416
1-bromo-3-[3-chloro-4-(difluoromethyl)phenyl]propan-2-one
CID 134616532
1-bromo-3-[2-bromo-4-(difluoromethoxy)phenyl]propan-2-one
CID 134616182
2-[4-chloro-3-(difluoromethoxy)phenyl]acetate
CID 131738240
1-bromo-3-[4-(difluoromethyl)-3-methylphenyl]propan-2-one
CID 134616711

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one (CID 134616422) is 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one is O=C(CBr)Cc1ccc(O)c(OC(F)F)c1.
What is the InChIKey of 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
The InChIKey is HPSIQLXAUZLTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O3/c11-5-7(14)3-6-1-2-8(15)9(4-6)16-10(12)13/h1-2,4,10,15H,3,5H2.
What are the key properties of 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one?
1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one has a molecular weight of 295.08 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[3-(difluoromethoxy)-4-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 134616422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).