3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

C16H16N2O2 — CID 14811387

IUPAC3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1cccc(/C=N/CC/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O2/c19-15-5-1-3-13(9-15)11-17-7-8-18-12-14-4-2-6-16(20)10-14/h1-6,9-12,19-20H,7-8H2/b17-11+,18-12+
InChIKeyNSBHUDWWAIEWCR-JYFOCSDGSA-N
MW268.32 g/mol
LogP2.64
Rot. Bonds5

About 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol

3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (PubChem CID 14811387) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.

Molecular Properties

Compound Name3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
PubChem CID14811387
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
SMILESOc1cccc(/C=N/CC/N=C/c2cccc(O)c2)c1
InChIInChI=1S/C16H16N2O2/c19-15-5-1-3-13(9-15)11-17-7-8-18-12-14-4-2-6-16(20)10-14/h1-6,9-12,19-20H,7-8H2/b17-11+,18-12+
InChIKeyNSBHUDWWAIEWCR-JYFOCSDGSA-N
XLogP2.64
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.64
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 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The IUPAC name of 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol (CID 14811387) is 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol.
What is the SMILES notation for 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The canonical SMILES for 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is Oc1cccc(/C=N/CC/N=C/c2cccc(O)c2)c1.
What is the InChIKey of 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
The InChIKey is NSBHUDWWAIEWCR-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-15-5-1-3-13(9-15)11-17-7-8-18-12-14-4-2-6-16(20)10-14/h1-6,9-12,19-20H,7-8H2/b17-11+,18-12+.
What are the key properties of 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol?
3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol has a molecular weight of 268.32 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol is sourced from PubChem (CID 14811387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).