2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol

C28H24N2O4 — CID 2793842

IUPAC2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C28H24N2O4/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32/h1-18,27-28,31-34H/b29-17+,30-18+
InChIKeyKKRRTGXXAWKFHZ-YAGSLNJISA-N
MW452.51 g/mol
LogP5.53
Rot. Bonds7

About 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol

2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol (PubChem CID 2793842) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
PubChem CID2793842
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol
SMILESOc1ccccc1/C=N/C(c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1O
InChIInChI=1S/C28H24N2O4/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32/h1-18,27-28,31-34H/b29-17+,30-18+
InChIKeyKKRRTGXXAWKFHZ-YAGSLNJISA-N
XLogP5.53
TPSA105.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 55.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Phenol, 2,2'-[1,2-cyclohexanediylbis(nitrilomethylidyne)]bis-
CID 115824
1-((Benzylidene-amino)-phenyl-methyl)-naphthalen-2-OL
CID 277398
1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol
CID 241061
2-[(E)-({2-[(2-{[(E)-(2-Hydroxyphenyl)methylidene]amino}phenyl)tellanyl]phenyl}imino)methyl]phenol
CID 3667988
2-{(E)-[(1-phenylethyl)imino]methyl}phenol
CID 98125
N,N'-Bis(2-hydroxy-alpha-phenylbenzylidene)ethylenediamine
CID 614122
2-{[(2-Hydroxy-1,2-diphenylethyl)imino]methyl}phenol
CID 135401385
2-((E)-{[4-(4-{[(E)-(2-hydroxyphenyl)methylidene]amino}benzyl)phenyl]imino}methyl)phenol
CID 288550
2-Bis((2-hydroxyphenylmethylene)amino)methylphenol
CID 135452587
Salicylal-o-hydroxybenzylamine
CID 348560
o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)DI-
CID 20014
2-[N-[[3-[[1-(2-hydroxyphenyl)ethylideneamino]methyl]phenyl]methyl]-C-methylcarbonimidoyl]phenol
CID 2731176

Frequently Asked Questions

What is the IUPAC name of 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol?
The IUPAC name of 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol (CID 2793842) is 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol.
What is the SMILES notation for 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol?
The canonical SMILES for 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol is Oc1ccccc1/C=N/C(c1ccccc1O)C(/N=C/c1ccccc1O)c1ccccc1O.
What is the InChIKey of 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol?
The InChIKey is KKRRTGXXAWKFHZ-YAGSLNJISA-N. The full InChI is InChI=1S/C28H24N2O4/c31-23-13-5-1-9-19(23)17-29-27(21-11-3-7-15-25(21)33)28(22-12-4-8-16-26(22)34)30-18-20-10-2-6-14-24(20)32/h1-18,27-28,31-34H/b29-17+,30-18+.
What are the key properties of 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol?
2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol has a molecular weight of 452.51 g/mol, XLogP of 5.53, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,2-bis(2-hydroxyphenyl)-2-[(2-hydroxyphenyl)methylideneamino]ethyl]iminomethyl]phenol is sourced from PubChem (CID 2793842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).