2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol

C28H24N2O2 — CID 135440137

IUPAC2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(CCc2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C28H24N2O2/c31-27-7-3-1-5-23(27)19-29-25-15-11-21(12-16-25)9-10-22-13-17-26(18-14-22)30-20-24-6-2-4-8-28(24)32/h1-8,11-20,31-32H,9-10H2/b29-19+,30-20+
InChIKeySWZMZYFEVLMOOR-CZYCKNNWSA-N
MW420.51 g/mol
LogP6.38
Rot. Bonds7

About 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol

2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol (PubChem CID 135440137) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
PubChem CID135440137
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/c1ccc(CCc2ccc(/N=C/c3ccccc3O)cc2)cc1
InChIInChI=1S/C28H24N2O2/c31-27-7-3-1-5-23(27)19-29-25-15-11-21(12-16-25)9-10-22-13-17-26(18-14-22)30-20-24-6-2-4-8-28(24)32/h1-8,11-20,31-32H,9-10H2/b29-19+,30-20+
InChIKeySWZMZYFEVLMOOR-CZYCKNNWSA-N
XLogP6.38
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol with MolForge

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Related Compounds

2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
1-(2-phenylphenyl)-N-[4-[2-[4-[(2-phenylphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine
CID 71329126
2-[[4-(2-phenylethenyl)phenyl]iminomethyl]phenol
CID 3812353
2-[(4-phenoxyphenyl)iminomethyl]phenol
CID 724452
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
2-[[4-(4-phenylpiperazin-1-yl)phenyl]iminomethyl]phenol
CID 3056190
bis(4-[(2-hydroxyphenyl)methylideneamino]benzoate);manganese(2+);methanol
CID 139076652

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The IUPAC name of 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol (CID 135440137) is 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol is Oc1ccccc1/C=N/c1ccc(CCc2ccc(/N=C/c3ccccc3O)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
The InChIKey is SWZMZYFEVLMOOR-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27-7-3-1-5-23(27)19-29-25-15-11-21(12-16-25)9-10-22-13-17-26(18-14-22)30-20-24-6-2-4-8-28(24)32/h1-8,11-20,31-32H,9-10H2/b29-19+,30-20+.
What are the key properties of 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol?
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol has a molecular weight of 420.51 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 135440137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).