2-phenylmethoxyiminoacetaldehyde

C9H9NO2 — CID 56611193

IUPAC2-phenylmethoxyiminoacetaldehyde
SMILESO=CC=NOCc1ccccc1
InChIInChI=1S/C9H9NO2/c11-7-6-10-12-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHLGLXMUSCMOUJA-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.39
Rot. Bonds4

About 2-phenylmethoxyiminoacetaldehyde

2-phenylmethoxyiminoacetaldehyde (PubChem CID 56611193) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-phenylmethoxyiminoacetaldehyde.

Molecular Properties

Compound Name2-phenylmethoxyiminoacetaldehyde
PubChem CID56611193
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-phenylmethoxyiminoacetaldehyde
SMILESO=CC=NOCc1ccccc1
InChIInChI=1S/C9H9NO2/c11-7-6-10-12-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKeyHLGLXMUSCMOUJA-UHFFFAOYSA-N
XLogP1.39
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6E)-6-phenylmethoxyiminohexanal
CID 14120171
3-phenyl-N-phenylmethoxyprop-2-en-1-imine
CID 75740750
(Z)-2,2,2-trichloro-N-phenylmethoxyethanimine
CID 11807168
(E)-2-bromo-N-phenylmethoxyethanimine
CID 53381097
(E,E)-N-phenylmethoxy-3-phenylsulfanylprop-2-en-1-imine
CID 177391470
(2E)-2-phenylmethoxyiminoacetyl chloride
CID 135240017
N-[[4-[(benzylideneamino)oxymethyl]phenyl]methoxy]-1-phenylmethanimine
CID 2457580
N'-[(Z)-phenylmethoxyiminomethyl]ethanimidamide
CID 155392690
(4E)-4-phenylmethoxyiminobutan-2-one
CID 58674288
(E)-N-phenylmethoxy-1-[5-[(E)-phenylmethoxyiminomethyl]furan-2-yl]methanimine
CID 130381597
(E)-N-phenylmethoxyheptan-1-imine
CID 88959136
2-[(E)-phenylmethoxyiminomethyl]benzoic acid
CID 46567047

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyiminoacetaldehyde?
The IUPAC name of 2-phenylmethoxyiminoacetaldehyde (CID 56611193) is 2-phenylmethoxyiminoacetaldehyde.
What is the SMILES notation for 2-phenylmethoxyiminoacetaldehyde?
The canonical SMILES for 2-phenylmethoxyiminoacetaldehyde is O=CC=NOCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyiminoacetaldehyde?
The InChIKey is HLGLXMUSCMOUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c11-7-6-10-12-8-9-4-2-1-3-5-9/h1-7H,8H2.
What are the key properties of 2-phenylmethoxyiminoacetaldehyde?
2-phenylmethoxyiminoacetaldehyde has a molecular weight of 163.18 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyiminoacetaldehyde is sourced from PubChem (CID 56611193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).