2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

C17H18N2O2 — CID 7210

IUPAC2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3/b18-11+,19-12+
InChIKeyRURPJGZXBHYNEM-GDAWTGGTSA-N
MW282.34 g/mol
LogP3.02
Rot. Bonds5

About 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol

2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (PubChem CID 7210) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.

Molecular Properties

Compound Name2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
PubChem CID7210
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol
SMILESCC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O
InChIInChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3/b18-11+,19-12+
InChIKeyRURPJGZXBHYNEM-GDAWTGGTSA-N
XLogP3.02
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The IUPAC name of 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol (CID 7210) is 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol.
What is the SMILES notation for 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The canonical SMILES for 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O.
What is the InChIKey of 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
The InChIKey is RURPJGZXBHYNEM-GDAWTGGTSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(19-12-15-7-3-5-9-17(15)21)10-18-11-14-6-2-4-8-16(14)20/h2-9,11-13,20-21H,10H2,1H3/b18-11+,19-12+.
What are the key properties of 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol?
2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol is sourced from PubChem (CID 7210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).