2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol

C16H16N2O2 — CID 135733766

IUPAC2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol
SMILESCC(=N\c1ccccc1O)/C(C)=N/c1ccccc1O
InChIInChI=1S/C16H16N2O2/c1-11(17-13-7-3-5-9-15(13)19)12(2)18-14-8-4-6-10-16(14)20/h3-10,19-20H,1-2H3/b17-11+,18-12+
InChIKeyMYFXGLUFYBAUEH-JYFOCSDGSA-N
MW268.32 g/mol
LogP3.98
Rot. Bonds3

About 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol

2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol (PubChem CID 135733766) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol.

Molecular Properties

Compound Name2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol
PubChem CID135733766
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol
SMILESCC(=N\c1ccccc1O)/C(C)=N/c1ccccc1O
InChIInChI=1S/C16H16N2O2/c1-11(17-13-7-3-5-9-15(13)19)12(2)18-14-8-4-6-10-16(14)20/h3-10,19-20H,1-2H3/b17-11+,18-12+
InChIKeyMYFXGLUFYBAUEH-JYFOCSDGSA-N
XLogP3.98
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol?
The IUPAC name of 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol (CID 135733766) is 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol.
What is the SMILES notation for 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol?
The canonical SMILES for 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol is CC(=N\c1ccccc1O)/C(C)=N/c1ccccc1O.
What is the InChIKey of 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol?
The InChIKey is MYFXGLUFYBAUEH-JYFOCSDGSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11(17-13-7-3-5-9-15(13)19)12(2)18-14-8-4-6-10-16(14)20/h3-10,19-20H,1-2H3/b17-11+,18-12+.
What are the key properties of 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol?
2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol has a molecular weight of 268.32 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyphenyl)iminobutan-2-ylideneamino]phenol is sourced from PubChem (CID 135733766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).