1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one

C9H10BrNO2 — CID 118807500

IUPAC1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one
SMILESNc1cc(O)ccc1C(=O)CCBr
InChIInChI=1S/C9H10BrNO2/c10-4-3-9(13)7-2-1-6(12)5-8(7)11/h1-2,5,12H,3-4,11H2
InChIKeyZUDRWGFMCSJMEQ-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one

1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one (PubChem CID 118807500) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one.

Molecular Properties

Compound Name1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one
PubChem CID118807500
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Name1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one
SMILESNc1cc(O)ccc1C(=O)CCBr
InChIInChI=1S/C9H10BrNO2/c10-4-3-9(13)7-2-1-6(12)5-8(7)11/h1-2,5,12H,3-4,11H2
InChIKeyZUDRWGFMCSJMEQ-UHFFFAOYSA-N
XLogP1.94
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-5-hydroxyphenyl)-3-bromopropan-1-one
CID 118835710
4-amino-1-(2-amino-4-hydroxyphenyl)butan-1-one
CID 105448049
1-(2-amino-4-hydroxyphenyl)propan-1-one
CID 22282751
methyl 3-amino-4-(3-bromopropanoyl)benzoate
CID 134648523
cesium 2-amino-4-hydroxybenzoate
CID 23687369
1-(2-amino-4-bromophenyl)butan-1-one
CID 116591729
4-amino-1-(2-amino-4-fluorophenyl)butan-1-one
CID 105449885
3-bromo-1-[4-bromo-2-(difluoromethyl)phenyl]propan-1-one
CID 134623103
1-(2-amino-3-bromophenyl)-3-bromopropan-1-one
CID 118824415
1-(3-amino-4-bromophenyl)-3-bromopropan-1-one
CID 118813184
1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one
CID 130033868
1-(2-amino-4-bromophenyl)pent-4-yn-1-one
CID 116591891

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one?
The IUPAC name of 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one (CID 118807500) is 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one.
What is the SMILES notation for 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one?
The canonical SMILES for 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one is Nc1cc(O)ccc1C(=O)CCBr.
What is the InChIKey of 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one?
The InChIKey is ZUDRWGFMCSJMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c10-4-3-9(13)7-2-1-6(12)5-8(7)11/h1-2,5,12H,3-4,11H2.
What are the key properties of 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one?
1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one has a molecular weight of 244.09 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-hydroxyphenyl)-3-bromopropan-1-one is sourced from PubChem (CID 118807500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).