1-(2-hydroxy-3-nitrosophenyl)ethanone

C8H7NO3 — CID 152988503

IUPAC1-(2-hydroxy-3-nitrosophenyl)ethanone
SMILESCC(=O)c1cccc(N=O)c1O
InChIInChI=1S/C8H7NO3/c1-5(10)6-3-2-4-7(9-12)8(6)11/h2-4,11H,1H3
InChIKeyUVUJLOWFIVGXKF-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.99
Rot. Bonds2

About 1-(2-hydroxy-3-nitrosophenyl)ethanone

1-(2-hydroxy-3-nitrosophenyl)ethanone (PubChem CID 152988503) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-(2-hydroxy-3-nitrosophenyl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3-nitrosophenyl)ethanone
PubChem CID152988503
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name1-(2-hydroxy-3-nitrosophenyl)ethanone
SMILESCC(=O)c1cccc(N=O)c1O
InChIInChI=1S/C8H7NO3/c1-5(10)6-3-2-4-7(9-12)8(6)11/h2-4,11H,1H3
InChIKeyUVUJLOWFIVGXKF-UHFFFAOYSA-N
XLogP1.99
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-acetyl-2-hydroxybenzaldehyde
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1-(3-aminooxy-2-hydroxyphenyl)ethanone
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1-(2-acetylphenyl)ethanone;methane
CID 158210616
1-[3-(2-fluorophenyl)sulfanyl-2-hydroxyphenyl]ethanone
CID 20513498
3-[(3-acetyl-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 67076238
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
3-nitrosobenzene-1,2-dicarbonyl chloride
CID 175328999
1-[2-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethanone
CID 44604289
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CID 164787794

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-nitrosophenyl)ethanone?
The IUPAC name of 1-(2-hydroxy-3-nitrosophenyl)ethanone (CID 152988503) is 1-(2-hydroxy-3-nitrosophenyl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3-nitrosophenyl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3-nitrosophenyl)ethanone is CC(=O)c1cccc(N=O)c1O.
What is the InChIKey of 1-(2-hydroxy-3-nitrosophenyl)ethanone?
The InChIKey is UVUJLOWFIVGXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-5(10)6-3-2-4-7(9-12)8(6)11/h2-4,11H,1H3.
What are the key properties of 1-(2-hydroxy-3-nitrosophenyl)ethanone?
1-(2-hydroxy-3-nitrosophenyl)ethanone has a molecular weight of 165.15 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3-nitrosophenyl)ethanone is sourced from PubChem (CID 152988503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).