1-[3-(hydroxyiminomethyl)phenyl]ethanone

C9H9NO2 — CID 139968005

IUPAC1-[3-(hydroxyiminomethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C=NO)c1
InChIInChI=1S/C9H9NO2/c1-7(11)9-4-2-3-8(5-9)6-10-12/h2-6,12H,1H3
InChIKeyUIGHVNQTJAWCPY-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.70
Rot. Bonds2

About 1-[3-(hydroxyiminomethyl)phenyl]ethanone

1-[3-(hydroxyiminomethyl)phenyl]ethanone (PubChem CID 139968005) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-[3-(hydroxyiminomethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(hydroxyiminomethyl)phenyl]ethanone
PubChem CID139968005
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-[3-(hydroxyiminomethyl)phenyl]ethanone
SMILESCC(=O)c1cccc(C=NO)c1
InChIInChI=1S/C9H9NO2/c1-7(11)9-4-2-3-8(5-9)6-10-12/h2-6,12H,1H3
InChIKeyUIGHVNQTJAWCPY-UHFFFAOYSA-N
XLogP1.70
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-methanimidoylphenyl)ethanone
CID 89337497
1-[3-[[4-[(3-acetylphenyl)iminomethyl]phenyl]methylideneamino]phenyl]ethanone
CID 1272171
N-[(3-acetylphenyl)methylideneamino]-4-phenylbenzamide
CID 75306203
4-(3-acetylphenyl)but-3-enamide
CID 170797804
3-(3-acetylphenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 123185506
1-[2-(methoxyiminomethyl)phenyl]ethanone;1-[3-(methoxyiminomethyl)phenyl]ethanone;1-[4-(methoxyiminomethyl)phenyl]ethanone
CID 158736594
1-[3-[(E)-hex-1-enyl]phenyl]ethanone
CID 10512317
N-[[3-(dimethylamino)phenyl]methylidene]hydroxylamine
CID 71440987
1-[3-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 121493701
3-[(3-acetylphenyl)-(3-formylphenyl)phosphanyl]benzaldehyde
CID 146390057
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
1-[3-[(4-hydroxyphenyl)methylideneamino]phenyl]ethanone
CID 135406080

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]ethanone?
The IUPAC name of 1-[3-(hydroxyiminomethyl)phenyl]ethanone (CID 139968005) is 1-[3-(hydroxyiminomethyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(hydroxyiminomethyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(hydroxyiminomethyl)phenyl]ethanone is CC(=O)c1cccc(C=NO)c1.
What is the InChIKey of 1-[3-(hydroxyiminomethyl)phenyl]ethanone?
The InChIKey is UIGHVNQTJAWCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7(11)9-4-2-3-8(5-9)6-10-12/h2-6,12H,1H3.
What are the key properties of 1-[3-(hydroxyiminomethyl)phenyl]ethanone?
1-[3-(hydroxyiminomethyl)phenyl]ethanone has a molecular weight of 163.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxyiminomethyl)phenyl]ethanone is sourced from PubChem (CID 139968005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).