2-amino-4-bromo-3-phenoxyphenol

C12H10BrNO2 — CID 118093778

IUPAC2-amino-4-bromo-3-phenoxyphenol
SMILESNc1c(O)ccc(Br)c1Oc1ccccc1
InChIInChI=1S/C12H10BrNO2/c13-9-6-7-10(15)11(14)12(9)16-8-4-2-1-3-5-8/h1-7,15H,14H2
InChIKeyXIARSMSOGPFNMA-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.53
Rot. Bonds2

About 2-amino-4-bromo-3-phenoxyphenol

2-amino-4-bromo-3-phenoxyphenol (PubChem CID 118093778) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 2-amino-4-bromo-3-phenoxyphenol.

Molecular Properties

Compound Name2-amino-4-bromo-3-phenoxyphenol
PubChem CID118093778
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name2-amino-4-bromo-3-phenoxyphenol
SMILESNc1c(O)ccc(Br)c1Oc1ccccc1
InChIInChI=1S/C12H10BrNO2/c13-9-6-7-10(15)11(14)12(9)16-8-4-2-1-3-5-8/h1-7,15H,14H2
InChIKeyXIARSMSOGPFNMA-UHFFFAOYSA-N
XLogP3.53
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,2,4,5-tetrabromo-3,6-diphenoxybenzene
CID 23129262
2-methyl-3-phenoxybenzene-1,4-diol
CID 22159501
4-bromonaphthalen-1-ol
CID 575609
2-amino-3,4,6-trifluoro-5-phenoxyphenol
CID 91430615
1-phenoxynaphthalen-2-ol
CID 5271325
2,3-diphenoxynaphthalene-1,4-diol
CID 19886586
2,6-dibromo-3-phenoxyphenol
CID 102457047
tert-butyl 3-(2-amino-4-bromo-3-phenoxyanilino)azetidine-1-carboxylate
CID 154675040
5-bromo-3-phenoxybenzene-1,2-diol
CID 122706591
3-hydroxy-2-phenoxybenzoic acid
CID 53406644
5-phenoxytriazine-4,6-diamine
CID 154264389
1-bromo-4-methoxy-3-nitro-2-phenoxybenzene
CID 118093960

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-3-phenoxyphenol?
The IUPAC name of 2-amino-4-bromo-3-phenoxyphenol (CID 118093778) is 2-amino-4-bromo-3-phenoxyphenol.
What is the SMILES notation for 2-amino-4-bromo-3-phenoxyphenol?
The canonical SMILES for 2-amino-4-bromo-3-phenoxyphenol is Nc1c(O)ccc(Br)c1Oc1ccccc1.
What is the InChIKey of 2-amino-4-bromo-3-phenoxyphenol?
The InChIKey is XIARSMSOGPFNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c13-9-6-7-10(15)11(14)12(9)16-8-4-2-1-3-5-8/h1-7,15H,14H2.
What are the key properties of 2-amino-4-bromo-3-phenoxyphenol?
2-amino-4-bromo-3-phenoxyphenol has a molecular weight of 280.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-3-phenoxyphenol is sourced from PubChem (CID 118093778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).