phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone

C16H15NO2 — CID 13127036

IUPACphenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
SMILESCC(C)=NOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-12(2)17-19-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyJRQGXDVKAWWZRB-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.69
Rot. Bonds4

About phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone

phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone (PubChem CID 13127036) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone.

Molecular Properties

Compound Namephenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
PubChem CID13127036
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namephenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone
SMILESCC(C)=NOc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-12(2)17-19-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyJRQGXDVKAWWZRB-UHFFFAOYSA-N
XLogP3.69
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-phenoxyphenyl)-phenylmethanone
CID 10802273
[2-(2-methoxyphenoxy)phenyl]-phenylmethanone
CID 157433245
[2-(1,1-dihydroxyethoxy)phenyl]-phenylmethanone
CID 139905658
[2-(1,3-dioxolan-2-yl)-3-methylphenyl]-[2-(propan-2-ylideneamino)oxyphenyl]methanone
CID 164915470
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
phenyl-(2-propoxyphenyl)methanone
CID 15556308
(2-benzoylphenyl) (2S)-2-aminopropanoate
CID 67465428
1-[5-acetyl-4-(2-benzoylphenyl)peroxy-2-hydroxyphenyl]ethanone
CID 123384129
[2-(2-bromophenoxy)phenyl]-phenylmethanone
CID 70097851
(2-benzoylphenyl) 2-methoxyacetate
CID 150870757
1-(2-benzoylphenyl)ethanone;molecular nitrogen
CID 174779565
(2-iodo-3-methoxyphenyl)-phenylmethanone
CID 134227112

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The IUPAC name of phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone (CID 13127036) is phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone.
What is the SMILES notation for phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The canonical SMILES for phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone is CC(C)=NOc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
The InChIKey is JRQGXDVKAWWZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12(2)17-19-15-11-7-6-10-14(15)16(18)13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone?
phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone has a molecular weight of 253.30 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(propan-2-ylideneamino)oxyphenyl]methanone is sourced from PubChem (CID 13127036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).