2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile

C20H14N2O3 — CID 136711049

IUPAC2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C20H14N2O3/c21-12-14-5-1-3-7-19(14)25-20-8-4-2-6-17(20)22-13-15-9-10-16(23)11-18(15)24/h1-11,13,23-24H/b22-13+
InChIKeyORXGGBOVVATQQH-LPYMAVHISA-N
MW330.34 g/mol
LogP4.51
Rot. Bonds4

About 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile

2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile (PubChem CID 136711049) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile.

Molecular Properties

Compound Name2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile
PubChem CID136711049
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1/N=C/c1ccc(O)cc1O
InChIInChI=1S/C20H14N2O3/c21-12-14-5-1-3-7-19(14)25-20-8-4-2-6-17(20)22-13-15-9-10-16(23)11-18(15)24/h1-11,13,23-24H/b22-13+
InChIKeyORXGGBOVVATQQH-LPYMAVHISA-N
XLogP4.51
TPSA85.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.51
H-Bond Donors ≤ 52
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-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile?
The IUPAC name of 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile (CID 136711049) is 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile.
What is the SMILES notation for 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile?
The canonical SMILES for 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile is N#Cc1ccccc1Oc1ccccc1/N=C/c1ccc(O)cc1O.
What is the InChIKey of 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile?
The InChIKey is ORXGGBOVVATQQH-LPYMAVHISA-N. The full InChI is InChI=1S/C20H14N2O3/c21-12-14-5-1-3-7-19(14)25-20-8-4-2-6-17(20)22-13-15-9-10-16(23)11-18(15)24/h1-11,13,23-24H/b22-13+.
What are the key properties of 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile?
2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile has a molecular weight of 330.34 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,4-dihydroxyphenyl)methylideneamino]phenoxy]benzonitrile is sourced from PubChem (CID 136711049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).