1-(2-amino-4-bromophenyl)-2-hydroxyethanone

C8H8BrNO2 — CID 155640752

IUPAC1-(2-amino-4-bromophenyl)-2-hydroxyethanone
SMILESNc1cc(Br)ccc1C(=O)CO
InChIInChI=1S/C8H8BrNO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,11H,4,10H2
InChIKeyUXPTYJDPVLXRBT-UHFFFAOYSA-N
MW230.06 g/mol
LogP1.21
Rot. Bonds2

About 1-(2-amino-4-bromophenyl)-2-hydroxyethanone

1-(2-amino-4-bromophenyl)-2-hydroxyethanone (PubChem CID 155640752) has the molecular formula C8H8BrNO2 and a molecular weight of 230.06 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-2-hydroxyethanone
PubChem CID155640752
Molecular FormulaC8H8BrNO2
Molecular Weight230.06 g/mol
Exact Mass228.97
IUPAC Name1-(2-amino-4-bromophenyl)-2-hydroxyethanone
SMILESNc1cc(Br)ccc1C(=O)CO
InChIInChI=1S/C8H8BrNO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,11H,4,10H2
InChIKeyUXPTYJDPVLXRBT-UHFFFAOYSA-N
XLogP1.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.06
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-bromophenyl)butan-1-one
CID 116591729
1-(2-amino-4-bromophenyl)pent-4-yn-1-one
CID 116591891
1-(2-amino-4-bromophenyl)-3-methylpentan-1-one
CID 116591735
1-(2-amino-4-bromophenyl)undecan-1-one
CID 116591772
1-(2-amino-4-bromophenyl)-2-(5-bromo-2-methoxyphenyl)ethanone
CID 116591939
1-(2-amino-4-bromophenyl)-2-(3,4-dichlorophenyl)ethanone
CID 116591699
1-(2-amino-4-bromophenyl)-2-(3-methylphenyl)ethanone
CID 116591838
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600
2-methoxyethyl 2-amino-4-bromobenzoate
CID 61303052
2-methylpropyl 2-amino-4-bromobenzoate
CID 61277458
1-(2-amino-5-methylphenyl)-2-hydroxyethanone
CID 56999541
1-(2-amino-4-bromophenyl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanone
CID 116591896

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-bromophenyl)-2-hydroxyethanone?
The IUPAC name of 1-(2-amino-4-bromophenyl)-2-hydroxyethanone (CID 155640752) is 1-(2-amino-4-bromophenyl)-2-hydroxyethanone.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-2-hydroxyethanone?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-2-hydroxyethanone is Nc1cc(Br)ccc1C(=O)CO.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-2-hydroxyethanone?
The InChIKey is UXPTYJDPVLXRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO2/c9-5-1-2-6(7(10)3-5)8(12)4-11/h1-3,11H,4,10H2.
What are the key properties of 1-(2-amino-4-bromophenyl)-2-hydroxyethanone?
1-(2-amino-4-bromophenyl)-2-hydroxyethanone has a molecular weight of 230.06 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-2-hydroxyethanone is sourced from PubChem (CID 155640752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).