(2E)-2-phenylmethoxyiminonaphthalen-1-one

C17H13NO2 — CID 11149700

IUPAC(2E)-2-phenylmethoxyiminonaphthalen-1-one
SMILESO=C1/C(=N/OCc2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C17H13NO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)18-20-12-13-6-2-1-3-7-13/h1-11H,12H2/b18-16+
InChIKeyMVUZZUIJRCMTCX-FBMGVBCBSA-N
MW263.30 g/mol
LogP3.47
Rot. Bonds3

About (2E)-2-phenylmethoxyiminonaphthalen-1-one

(2E)-2-phenylmethoxyiminonaphthalen-1-one (PubChem CID 11149700) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (2E)-2-phenylmethoxyiminonaphthalen-1-one.

Molecular Properties

Compound Name(2E)-2-phenylmethoxyiminonaphthalen-1-one
PubChem CID11149700
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name(2E)-2-phenylmethoxyiminonaphthalen-1-one
SMILESO=C1/C(=N/OCc2ccccc2)C=Cc2ccccc21
InChIInChI=1S/C17H13NO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)18-20-12-13-6-2-1-3-7-13/h1-11H,12H2/b18-16+
InChIKeyMVUZZUIJRCMTCX-FBMGVBCBSA-N
XLogP3.47
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-2-phenylmethoxyiminonaphthalen-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-phenylmethoxyiminonaphthalen-1-one?
The IUPAC name of (2E)-2-phenylmethoxyiminonaphthalen-1-one (CID 11149700) is (2E)-2-phenylmethoxyiminonaphthalen-1-one.
What is the SMILES notation for (2E)-2-phenylmethoxyiminonaphthalen-1-one?
The canonical SMILES for (2E)-2-phenylmethoxyiminonaphthalen-1-one is O=C1/C(=N/OCc2ccccc2)C=Cc2ccccc21.
What is the InChIKey of (2E)-2-phenylmethoxyiminonaphthalen-1-one?
The InChIKey is MVUZZUIJRCMTCX-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H13NO2/c19-17-15-9-5-4-8-14(15)10-11-16(17)18-20-12-13-6-2-1-3-7-13/h1-11H,12H2/b18-16+.
What are the key properties of (2E)-2-phenylmethoxyiminonaphthalen-1-one?
(2E)-2-phenylmethoxyiminonaphthalen-1-one has a molecular weight of 263.30 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-phenylmethoxyiminonaphthalen-1-one is sourced from PubChem (CID 11149700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).