2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol

C23H23N3O2 — CID 136669190

IUPAC2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol
SMILESCC(C/N=C/c1ccccc1O)(C/N=C/c1ccccc1O)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28/h2-15,27-28H,16-17H2,1H3/b24-14+,25-15+
InChIKeyCCDQYQFRWDEDKG-KOJZRSEWSA-N
MW373.46 g/mol
LogP3.99
Rot. Bonds7

About 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol

2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol (PubChem CID 136669190) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol
PubChem CID136669190
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol
SMILESCC(C/N=C/c1ccccc1O)(C/N=C/c1ccccc1O)c1ccccn1
InChIInChI=1S/C23H23N3O2/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28/h2-15,27-28H,16-17H2,1H3/b24-14+,25-15+
InChIKeyCCDQYQFRWDEDKG-KOJZRSEWSA-N
XLogP3.99
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4,4'-Dihydroxydiphenyl(2-pyridyl)methane
CID 69046
NoName_714
CID 135489221
Alpha,alpha-diphenyl-2-pyridinemethanol
CID 223294
5-(1,1-Dimethyl-heptyl)-2-pyridin-3-yl-phenol
CID 11551123
3-[5-(3-Hydroxyphenyl)pyridin-2-yl]phenol
CID 25093398
3-[5-(3-Hydroxyphenyl)pyrazin-2-yl]phenol
CID 25093399
4''-(1-(Pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854448
4''-(2-Methyl-1-(pyridin-4-yl)propyl)biphenyl-3-ol
CID 46854449
3-Fluoro-4''-(1-(pyridin-4-yl)propyl)biphenyl-4-ol
CID 46854606
4''-(Pyridin-4-ylmethyl)biphenyl-3-ol
CID 46901446
3-Fluoro-4''-(pyridin-4-ylmethyl)biphenyl-4-ol
CID 46901611
3-(2,4-Dihydroxybenzylidene)anabaseine
CID 135461178

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol?
The IUPAC name of 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol (CID 136669190) is 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol?
The canonical SMILES for 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol is CC(C/N=C/c1ccccc1O)(C/N=C/c1ccccc1O)c1ccccn1.
What is the InChIKey of 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol?
The InChIKey is CCDQYQFRWDEDKG-KOJZRSEWSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-23(22-12-6-7-13-26-22,16-24-14-18-8-2-4-10-20(18)27)17-25-15-19-9-3-5-11-21(19)28/h2-15,27-28H,16-17H2,1H3/b24-14+,25-15+.
What are the key properties of 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol?
2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol has a molecular weight of 373.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-hydroxyphenyl)methylideneamino]-2-methyl-2-pyridin-2-ylpropyl]iminomethyl]phenol is sourced from PubChem (CID 136669190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).