1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol

C14H16N2O3 — CID 174453955

IUPAC1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
SMILESCC(=O)c1cccc(O)c1N.Nc1ccccc1O
InChIInChI=1S/C8H9NO2.C6H7NO/c1-5(10)6-3-2-4-7(11)8(6)9;7-5-3-1-2-4-6(5)8/h2-4,11H,9H2,1H3;1-4,8H,7H2
InChIKeyOXSCVKGPAYKONR-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.15
Rot. Bonds1

About 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol

1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol (PubChem CID 174453955) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol.

Molecular Properties

Compound Name1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
PubChem CID174453955
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
SMILESCC(=O)c1cccc(O)c1N.Nc1ccccc1O
InChIInChI=1S/C8H9NO2.C6H7NO/c1-5(10)6-3-2-4-7(11)8(6)9;7-5-3-1-2-4-6(5)8/h2-4,11H,9H2,1H3;1-4,8H,7H2
InChIKeyOXSCVKGPAYKONR-UHFFFAOYSA-N
XLogP2.15
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzoic acid;2-aminophenol
CID 23062986
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
2-aminophenol;ethane;methane
CID 158189798
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-acetyl-2-aminobenzonitrile
CID 45086189
1-[2-amino-3-(dipropylamino)phenyl]ethanone
CID 70335782
phenyl 2-acetyl-6-aminobenzoate
CID 58782447
1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one
CID 89289016
1-(3-amino-2-bromo-4-hydroxyphenyl)ethanone
CID 171016977

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol?
The IUPAC name of 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol (CID 174453955) is 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol.
What is the SMILES notation for 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol?
The canonical SMILES for 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol is CC(=O)c1cccc(O)c1N.Nc1ccccc1O.
What is the InChIKey of 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol?
The InChIKey is OXSCVKGPAYKONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2.C6H7NO/c1-5(10)6-3-2-4-7(11)8(6)9;7-5-3-1-2-4-6(5)8/h2-4,11H,9H2,1H3;1-4,8H,7H2.
What are the key properties of 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol?
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol has a molecular weight of 260.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol is sourced from PubChem (CID 174453955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).