2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol

C28H24N2O4 — CID 137256616

IUPAC2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
SMILESCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O
InChIInChI=1S/C28H24N2O4/c1-19-5-3-6-20(27(19)31)17-29-22-9-13-24(14-10-22)34-25-15-11-23(12-16-25)30-18-21-7-4-8-26(33-2)28(21)32/h3-18,31-32H,1-2H3/b29-17+,30-18+
InChIKeyHLVCURVHHLQJNG-YAGSLNJISA-N
MW452.51 g/mol
LogP6.71
Rot. Bonds7

About 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol

2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol (PubChem CID 137256616) has the molecular formula C28H24N2O4 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol.

Molecular Properties

Compound Name2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
PubChem CID137256616
Molecular FormulaC28H24N2O4
Molecular Weight452.51 g/mol
Exact Mass452.17
IUPAC Name2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
SMILESCOc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O
InChIInChI=1S/C28H24N2O4/c1-19-5-3-6-20(27(19)31)17-29-22-9-13-24(14-10-22)34-25-15-11-23(12-16-25)30-18-21-7-4-8-26(33-2)28(21)32/h3-18,31-32H,1-2H3/b29-17+,30-18+
InChIKeyHLVCURVHHLQJNG-YAGSLNJISA-N
XLogP6.71
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.51
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-methoxy-6-[(3-methyl-2-pyridinyl)iminomethyl]phenol
CID 564866
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135595493
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
2-methyl-6-[[4-(4-phenylphenyl)phenyl]iminomethyl]phenol
CID 135997411
3-[[4-[4-[(3-formyl-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-2-hydroxybenzaldehyde
CID 137256651
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol?
The IUPAC name of 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol (CID 137256616) is 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol.
What is the SMILES notation for 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol?
The canonical SMILES for 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol is COc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(C)c4O)cc3)cc2)c1O.
What is the InChIKey of 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol?
The InChIKey is HLVCURVHHLQJNG-YAGSLNJISA-N. The full InChI is InChI=1S/C28H24N2O4/c1-19-5-3-6-20(27(19)31)17-29-22-9-13-24(14-10-22)34-25-15-11-23(12-16-25)30-18-21-7-4-8-26(33-2)28(21)32/h3-18,31-32H,1-2H3/b29-17+,30-18+.
What are the key properties of 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol?
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol has a molecular weight of 452.51 g/mol, XLogP of 6.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol is sourced from PubChem (CID 137256616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).