5-phenyl-3-(phenyliminomethyl)furan-2-ol

C17H13NO2 — CID 762469

IUPAC5-phenyl-3-(phenyliminomethyl)furan-2-ol
SMILESOc1oc(-c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-14(12-18-15-9-5-2-6-10-15)11-16(20-17)13-7-3-1-4-8-13/h1-12,19H/b18-12+
InChIKeyQMWUHYIYOQZEPG-LDADJPATSA-N
MW263.30 g/mol
LogP4.40
Rot. Bonds3

About 5-phenyl-3-(phenyliminomethyl)furan-2-ol

5-phenyl-3-(phenyliminomethyl)furan-2-ol (PubChem CID 762469) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-phenyl-3-(phenyliminomethyl)furan-2-ol.

Molecular Properties

Compound Name5-phenyl-3-(phenyliminomethyl)furan-2-ol
PubChem CID762469
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name5-phenyl-3-(phenyliminomethyl)furan-2-ol
SMILESOc1oc(-c2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/C17H13NO2/c19-17-14(12-18-15-9-5-2-6-10-15)11-16(20-17)13-7-3-1-4-8-13/h1-12,19H/b18-12+
InChIKeyQMWUHYIYOQZEPG-LDADJPATSA-N
XLogP4.40
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(phenyliminomethyl)furan-2-ol?
The IUPAC name of 5-phenyl-3-(phenyliminomethyl)furan-2-ol (CID 762469) is 5-phenyl-3-(phenyliminomethyl)furan-2-ol.
What is the SMILES notation for 5-phenyl-3-(phenyliminomethyl)furan-2-ol?
The canonical SMILES for 5-phenyl-3-(phenyliminomethyl)furan-2-ol is Oc1oc(-c2ccccc2)cc1/C=N/c1ccccc1.
What is the InChIKey of 5-phenyl-3-(phenyliminomethyl)furan-2-ol?
The InChIKey is QMWUHYIYOQZEPG-LDADJPATSA-N. The full InChI is InChI=1S/C17H13NO2/c19-17-14(12-18-15-9-5-2-6-10-15)11-16(20-17)13-7-3-1-4-8-13/h1-12,19H/b18-12+.
What are the key properties of 5-phenyl-3-(phenyliminomethyl)furan-2-ol?
5-phenyl-3-(phenyliminomethyl)furan-2-ol has a molecular weight of 263.30 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(phenyliminomethyl)furan-2-ol is sourced from PubChem (CID 762469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).