4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile

C15H12N2O2 — CID 1040051

IUPAC4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
SMILESCOc1ccc(O)c(/C=N/c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H12N2O2/c1-19-14-6-7-15(18)12(8-14)10-17-13-4-2-11(9-16)3-5-13/h2-8,10,18H,1H3/b17-10+
InChIKeyLUVVAIAJGZCPTI-LICLKQGHSA-N
MW252.27 g/mol
LogP3.02
Rot. Bonds3

About 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile

4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile (PubChem CID 1040051) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile.

Molecular Properties

Compound Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
PubChem CID1040051
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
SMILESCOc1ccc(O)c(/C=N/c2ccc(C#N)cc2)c1
InChIInChI=1S/C15H12N2O2/c1-19-14-6-7-15(18)12(8-14)10-17-13-4-2-11(9-16)3-5-13/h2-8,10,18H,1H3/b17-10+
InChIKeyLUVVAIAJGZCPTI-LICLKQGHSA-N
XLogP3.02
TPSA65.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 135681255
4-[(5-chloro-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 135657361
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
[4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]-phenylmethanone
CID 177256442
2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile
CID 2768021
4-[(2-hydroxy-5-methoxy-1H-indol-3-yl)methylideneamino]benzonitrile
CID 136996433
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566
4-methoxy-2-[(4-piperidin-1-ylphenyl)iminomethyl]phenol
CID 135774295
dimethyl 5-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzene-1,3-dicarboxylate
CID 135595457
2-(3H-benzimidazol-5-yliminomethyl)-4-methoxyphenol
CID 137122842
1-[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]phenyl]ethanone
CID 135595395
3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-N-methylbenzamide
CID 135758537

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile?
The IUPAC name of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile (CID 1040051) is 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile.
What is the SMILES notation for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile?
The canonical SMILES for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile is COc1ccc(O)c(/C=N/c2ccc(C#N)cc2)c1.
What is the InChIKey of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile?
The InChIKey is LUVVAIAJGZCPTI-LICLKQGHSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-14-6-7-15(18)12(8-14)10-17-13-4-2-11(9-16)3-5-13/h2-8,10,18H,1H3/b17-10+.
What are the key properties of 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile?
4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile has a molecular weight of 252.27 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-5-methoxyphenyl)methylideneamino]benzonitrile is sourced from PubChem (CID 1040051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).