Benzadehyde O-benzyloxime

C14H13NO — CID 9602276

IUPAC(E)-1-phenyl-N-phenylmethoxymethanimine
SMILESC1=CC=C(C=C1)CO/N=C/C2=CC=CC=C2
InChIInChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11+
InChIKeyCVBQDSHWPRCDRQ-RVDMUPIBSA-N
MW211.26 g/mol
LogP3.50
Rot. Bonds4

About Benzadehyde O-benzyloxime

Benzadehyde O-benzyloxime (PubChem CID 9602276) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (E)-1-phenyl-N-phenylmethoxymethanimine.

Molecular Properties

Compound NameBenzadehyde O-benzyloxime
PubChem CID9602276
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(E)-1-phenyl-N-phenylmethoxymethanimine
SMILESC1=CC=C(C=C1)CO/N=C/C2=CC=CC=C2
InChIInChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11+
InChIKeyCVBQDSHWPRCDRQ-RVDMUPIBSA-N
XLogP3.50
TPSA21.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity203

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of Benzadehyde O-benzyloxime?
The IUPAC name of Benzadehyde O-benzyloxime (CID 9602276) is (E)-1-phenyl-N-phenylmethoxymethanimine.
What is the SMILES notation for Benzadehyde O-benzyloxime?
The canonical SMILES for Benzadehyde O-benzyloxime is C1=CC=C(C=C1)CO/N=C/C2=CC=CC=C2.
What is the InChIKey of Benzadehyde O-benzyloxime?
The InChIKey is CVBQDSHWPRCDRQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C14H13NO/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-11H,12H2/b15-11+.
What are the key properties of Benzadehyde O-benzyloxime?
Benzadehyde O-benzyloxime has a molecular weight of 211.26 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Benzadehyde O-benzyloxime is sourced from PubChem (CID 9602276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).