2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol

C19H22N2O4 — CID 4214077

IUPAC2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CC(C)/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C19H22N2O4/c1-13(21-12-15-9-17(25-3)5-7-19(15)23)10-20-11-14-8-16(24-2)4-6-18(14)22/h4-9,11-13,22-23H,10H2,1-3H3/b20-11+,21-12+
InChIKeyXXLFQUBZGNWHHK-HGEIODPWSA-N
MW342.40 g/mol
LogP3.04
Rot. Bonds7

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

2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol (PubChem CID 4214077) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol
PubChem CID4214077
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(/C=N/CC(C)/N=C/c2cc(OC)ccc2O)c1
InChIInChI=1S/C19H22N2O4/c1-13(21-12-15-9-17(25-3)5-7-19(15)23)10-20-11-14-8-16(24-2)4-6-18(14)22/h4-9,11-13,22-23H,10H2,1-3H3/b20-11+,21-12+
InChIKeyXXLFQUBZGNWHHK-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-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol?
The IUPAC name of 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol (CID 4214077) is 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol?
The canonical SMILES for 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol is COc1ccc(O)c(/C=N/CC(C)/N=C/c2cc(OC)ccc2O)c1.
What is the InChIKey of 2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol?
The InChIKey is XXLFQUBZGNWHHK-HGEIODPWSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-13(21-12-15-9-17(25-3)5-7-19(15)23)10-20-11-14-8-16(24-2)4-6-18(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-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol?
2-[2-[(2-hydroxy-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-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-5-methoxyphenyl)methylideneamino]propyliminomethyl]-4-methoxyphenol is sourced from PubChem (CID 4214077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).