2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

C19H14N2O3 — CID 135501752

IUPAC2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESCOc1cccc(/C=N/c2oc(-c3ccccc3)cc2C#N)c1O
InChIInChI=1S/C19H14N2O3/c1-23-16-9-5-8-14(18(16)22)12-21-19-15(11-20)10-17(24-19)13-6-3-2-4-7-13/h2-10,12,22H,1H3/b21-12+
InChIKeyJWHXCIKBJKHAJF-CIAFOILYSA-N
MW318.33 g/mol
LogP4.28
Rot. Bonds4

About 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile

2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (PubChem CID 135501752) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.

Molecular Properties

Compound Name2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
PubChem CID135501752
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile
SMILESCOc1cccc(/C=N/c2oc(-c3ccccc3)cc2C#N)c1O
InChIInChI=1S/C19H14N2O3/c1-23-16-9-5-8-14(18(16)22)12-21-19-15(11-20)10-17(24-19)13-6-3-2-4-7-13/h2-10,12,22H,1H3/b21-12+
InChIKeyJWHXCIKBJKHAJF-CIAFOILYSA-N
XLogP4.28
TPSA78.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The IUPAC name of 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile (CID 135501752) is 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile.
What is the SMILES notation for 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The canonical SMILES for 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is COc1cccc(/C=N/c2oc(-c3ccccc3)cc2C#N)c1O.
What is the InChIKey of 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
The InChIKey is JWHXCIKBJKHAJF-CIAFOILYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-23-16-9-5-8-14(18(16)22)12-21-19-15(11-20)10-17(24-19)13-6-3-2-4-7-13/h2-10,12,22H,1H3/b21-12+.
What are the key properties of 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile?
2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile has a molecular weight of 318.33 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenylfuran-3-carbonitrile is sourced from PubChem (CID 135501752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).