3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one

C10H11BrFNO3 — CID 117471471

IUPAC3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(Br)c(F)c(C(=O)CCN)c1O
InChIInChI=1S/C10H11BrFNO3/c1-16-7-4-5(11)9(12)8(10(7)15)6(14)2-3-13/h4,15H,2-3,13H2,1H3
InChIKeyMFECXXNQLFWZDT-UHFFFAOYSA-N
MW292.10 g/mol
LogP1.83
Rot. Bonds4

About 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one

3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one (PubChem CID 117471471) has the molecular formula C10H11BrFNO3 and a molecular weight of 292.10 g/mol. Its IUPAC name is 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
PubChem CID117471471
Molecular FormulaC10H11BrFNO3
Molecular Weight292.10 g/mol
Exact Mass290.99
IUPAC Name3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one
SMILESCOc1cc(Br)c(F)c(C(=O)CCN)c1O
InChIInChI=1S/C10H11BrFNO3/c1-16-7-4-5(11)9(12)8(10(7)15)6(14)2-3-13/h4,15H,2-3,13H2,1H3
InChIKeyMFECXXNQLFWZDT-UHFFFAOYSA-N
XLogP1.83
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(5-bromo-2-fluoro-6-hydroxy-3-methylphenyl)propan-1-one
CID 84810800
3-amino-1-(2-bromo-6-hydroxy-5-methoxy-3-methylphenyl)propan-1-one
CID 117464810
3-amino-1-(2,3,6-trifluoro-5-methoxyphenyl)propan-1-one
CID 117337381
3-amino-1-(2,4-difluoro-6-methoxyphenyl)propan-1-one
CID 84783757
3-amino-1-(6-bromo-3-hydroxy-2,4-dimethylphenyl)propan-1-one
CID 117432655
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
2-amino-1-(4-bromo-5-fluoro-2-methoxyphenyl)ethanone
CID 84806885
3-amino-1-(2-bromo-4-hydroxy-5-methoxyphenyl)propan-1-one
CID 117437436
methyl 2-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)-2-hydroxyacetate
CID 117493783
3-amino-1-(2-bromo-6-methoxy-3,5-dimethylphenyl)propan-1-one
CID 117461043
3-amino-1-(3-bromo-2-fluoro-4-methoxyphenyl)propan-1-one
CID 117441624
3-(4-aminobutan-2-yl)-4-bromo-2-fluoro-6-methoxyphenol
CID 117471634

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one?
The IUPAC name of 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one (CID 117471471) is 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one.
What is the SMILES notation for 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one?
The canonical SMILES for 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one is COc1cc(Br)c(F)c(C(=O)CCN)c1O.
What is the InChIKey of 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one?
The InChIKey is MFECXXNQLFWZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO3/c1-16-7-4-5(11)9(12)8(10(7)15)6(14)2-3-13/h4,15H,2-3,13H2,1H3.
What are the key properties of 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one?
3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one has a molecular weight of 292.10 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bromo-2-fluoro-6-hydroxy-5-methoxyphenyl)propan-1-one is sourced from PubChem (CID 117471471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).