2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol

C19H22N2O4 — CID 135401390

IUPAC2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CC(C)/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C19H22N2O4/c1-13(21-12-15-7-5-9-17(25-3)19(15)23)10-20-11-14-6-4-8-16(24-2)18(14)22/h4-9,11-13,22-23H,10H2,1-3H3/b20-11+,21-12+
InChIKeyVNNXSKFCDCTSTJ-HGEIODPWSA-N
MW342.40 g/mol
LogP3.04
Rot. Bonds7

About 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol

2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol (PubChem CID 135401390) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol
PubChem CID135401390
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol
SMILESCOc1cccc(/C=N/CC(C)/N=C/c2cccc(OC)c2O)c1O
InChIInChI=1S/C19H22N2O4/c1-13(21-12-15-7-5-9-17(25-3)19(15)23)10-20-11-14-6-4-8-16(24-2)18(14)22/h4-9,11-13,22-23H,10H2,1-3H3/b20-11+,21-12+
InChIKeyVNNXSKFCDCTSTJ-HGEIODPWSA-N
XLogP3.04
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol?
The IUPAC name of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol (CID 135401390) is 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol.
What is the SMILES notation for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol?
The canonical SMILES for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol is COc1cccc(/C=N/CC(C)/N=C/c2cccc(OC)c2O)c1O.
What is the InChIKey of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol?
The InChIKey is VNNXSKFCDCTSTJ-HGEIODPWSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(21-12-15-7-5-9-17(25-3)19(15)23)10-20-11-14-6-4-8-16(24-2)18(14)22/h4-9,11-13,22-23H,10H2,1-3H3/b20-11+,21-12+.
What are the key properties of 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol?
2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol has a molecular weight of 342.40 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]propyliminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135401390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).