1-(4-hydroxy-3-nitrosophenyl)ethanone

C8H7NO3 — CID 45086356

IUPAC1-(4-hydroxy-3-nitrosophenyl)ethanone
SMILESCC(=O)c1ccc(O)c(N=O)c1
InChIInChI=1S/C8H7NO3/c1-5(10)6-2-3-8(11)7(4-6)9-12/h2-4,11H,1H3
InChIKeyUJVMLORZNLWWJN-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.99
Rot. Bonds2

About 1-(4-hydroxy-3-nitrosophenyl)ethanone

1-(4-hydroxy-3-nitrosophenyl)ethanone (PubChem CID 45086356) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-(4-hydroxy-3-nitrosophenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-nitrosophenyl)ethanone
PubChem CID45086356
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name1-(4-hydroxy-3-nitrosophenyl)ethanone
SMILESCC(=O)c1ccc(O)c(N=O)c1
InChIInChI=1S/C8H7NO3/c1-5(10)6-2-3-8(11)7(4-6)9-12/h2-4,11H,1H3
InChIKeyUJVMLORZNLWWJN-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

1-[4-(methylamino)-3-nitrosophenyl]ethanone
CID 163775563
(5-acetyl-2-hydroxyphenyl)astatine
CID 177043145
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]ethanone
CID 3514586
ethane;4-ethyl-2-nitrosophenol
CID 177045182
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
bis(4-acetyl-2-nitrosophenyl) 4-methoxybenzene-1,3-dicarboxylate
CID 71516881
1-(6-hydroxy-5-methylnaphthalen-2-yl)ethanone
CID 130032637
1-[3-hydroxy-4-(hydroxymethyl)phenyl]ethanone
CID 90368486
5-acetyl-2-hydroxy-N-methylbenzenesulfonamide
CID 154481040
1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-(3-hydroxy-4-methylsulfonylphenyl)ethanone
CID 47003472

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-nitrosophenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-3-nitrosophenyl)ethanone (CID 45086356) is 1-(4-hydroxy-3-nitrosophenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-nitrosophenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-nitrosophenyl)ethanone is CC(=O)c1ccc(O)c(N=O)c1.
What is the InChIKey of 1-(4-hydroxy-3-nitrosophenyl)ethanone?
The InChIKey is UJVMLORZNLWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-5(10)6-2-3-8(11)7(4-6)9-12/h2-4,11H,1H3.
What are the key properties of 1-(4-hydroxy-3-nitrosophenyl)ethanone?
1-(4-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-(4-hydroxy-3-nitrosophenyl)ethanone is sourced from PubChem (CID 45086356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).