2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol

C19H22N2O2 — CID 2318645

IUPAC2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-21-15-17-9-3-5-11-19(17)23/h2-5,8-11,14-15,22-23H,1,6-7,12-13H2/b20-14+,21-15+
InChIKeyJDTPWGFQNPGGKT-OZNQKUEASA-N
MW310.40 g/mol
LogP3.81
Rot. Bonds8

About 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol

2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol (PubChem CID 2318645) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol.

Molecular Properties

Compound Name2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
PubChem CID2318645
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol
SMILESOc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O
InChIInChI=1S/C19H22N2O2/c22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-21-15-17-9-3-5-11-19(17)23/h2-5,8-11,14-15,22-23H,1,6-7,12-13H2/b20-14+,21-15+
InChIKeyJDTPWGFQNPGGKT-OZNQKUEASA-N
XLogP3.81
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The IUPAC name of 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol (CID 2318645) is 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol.
What is the SMILES notation for 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The canonical SMILES for 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol is Oc1ccccc1/C=N/CCCCC/N=C/c1ccccc1O.
What is the InChIKey of 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
The InChIKey is JDTPWGFQNPGGKT-OZNQKUEASA-N. The full InChI is InChI=1S/C19H22N2O2/c22-18-10-4-2-8-16(18)14-20-12-6-1-7-13-21-15-17-9-3-5-11-19(17)23/h2-5,8-11,14-15,22-23H,1,6-7,12-13H2/b20-14+,21-15+.
What are the key properties of 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol?
2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol has a molecular weight of 310.40 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-hydroxyphenyl)methylideneamino]pentyliminomethyl]phenol is sourced from PubChem (CID 2318645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).