4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol

C26H21NO3 — CID 136702059

IUPAC4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
SMILESCOc1cccc(/C=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c1O
InChIInChI=1S/C26H21NO3/c1-30-24-14-8-13-20(25(24)28)17-27-21-15-22(18-9-4-2-5-10-18)26(29)23(16-21)19-11-6-3-7-12-19/h2-17,28-29H,1H3/b27-17+
InChIKeyRERPOKJACLCBGU-WPWMEQJKSA-N
MW395.46 g/mol
LogP6.19
Rot. Bonds5

About 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol

4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol (PubChem CID 136702059) has the molecular formula C26H21NO3 and a molecular weight of 395.46 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
PubChem CID136702059
Molecular FormulaC26H21NO3
Molecular Weight395.46 g/mol
Exact Mass395.15
IUPAC Name4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol
SMILESCOc1cccc(/C=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c1O
InChIInChI=1S/C26H21NO3/c1-30-24-14-8-13-20(25(24)28)17-27-21-15-22(18-9-4-2-5-10-18)26(29)23(16-21)19-11-6-3-7-12-19/h2-17,28-29H,1H3/b27-17+
InChIKeyRERPOKJACLCBGU-WPWMEQJKSA-N
XLogP6.19
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,5-difluorophenyl)iminomethyl]-6-methoxyphenol
CID 135657433
2-(9H-fluoren-3-yliminomethyl)-6-methoxyphenol
CID 135596048
2-[(E)-[(E)-(2-hydroxy-3-methoxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 135473163
2-[(4-bromo-3-chlorophenyl)iminomethyl]-6-methoxyphenol
CID 681274
2-[[3-[3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-6-methoxyphenol
CID 135424005
2-methoxy-6-[[3-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 135657437
2-[(E)-hydroxyiminomethyl]-6-methoxyphenol
CID 135460299
2-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-6-methoxyphenol
CID 177385575
2-methoxy-6-[[4-(trifluoromethoxy)phenyl]iminomethyl]phenol
CID 771801
2-[[4-[4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methylphenol
CID 137256616
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 3272383
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol?
The IUPAC name of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol (CID 136702059) is 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol.
What is the SMILES notation for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol?
The canonical SMILES for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol is COc1cccc(/C=N/c2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)c1O.
What is the InChIKey of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol?
The InChIKey is RERPOKJACLCBGU-WPWMEQJKSA-N. The full InChI is InChI=1S/C26H21NO3/c1-30-24-14-8-13-20(25(24)28)17-27-21-15-22(18-9-4-2-5-10-18)26(29)23(16-21)19-11-6-3-7-12-19/h2-17,28-29H,1H3/b27-17+.
What are the key properties of 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol?
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol has a molecular weight of 395.46 g/mol, XLogP of 6.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2,6-diphenylphenol is sourced from PubChem (CID 136702059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).