4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol

C27H22N2O2 — CID 135588522

IUPAC4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
SMILESOc1ccc(Cc2ccc(O)c(/C=N/c3ccccc3)c2)cc1/C=N/c1ccccc1
InChIInChI=1S/C27H22N2O2/c30-26-13-11-20(16-22(26)18-28-24-7-3-1-4-8-24)15-21-12-14-27(31)23(17-21)19-29-25-9-5-2-6-10-25/h1-14,16-19,30-31H,15H2/b28-18+,29-19+
InChIKeyPKQDALITYNMFIN-UOSOPFLXSA-N
MW406.49 g/mol
LogP6.19
Rot. Bonds6

About 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol

4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol (PubChem CID 135588522) has the molecular formula C27H22N2O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
PubChem CID135588522
Molecular FormulaC27H22N2O2
Molecular Weight406.49 g/mol
Exact Mass406.17
IUPAC Name4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
SMILESOc1ccc(Cc2ccc(O)c(/C=N/c3ccccc3)c2)cc1/C=N/c1ccccc1
InChIInChI=1S/C27H22N2O2/c30-26-13-11-20(16-22(26)18-28-24-7-3-1-4-8-24)15-21-12-14-27(31)23(17-21)19-29-25-9-5-2-6-10-25/h1-14,16-19,30-31H,15H2/b28-18+,29-19+
InChIKeyPKQDALITYNMFIN-UOSOPFLXSA-N
XLogP6.19
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.49
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

4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-[[4-(hydroxymethyl)phenyl]iminomethyl]phenol
CID 139083924
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
CID 3788180
4-benzyl-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 5222993

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol?
The IUPAC name of 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol (CID 135588522) is 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol.
What is the SMILES notation for 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol?
The canonical SMILES for 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol is Oc1ccc(Cc2ccc(O)c(/C=N/c3ccccc3)c2)cc1/C=N/c1ccccc1.
What is the InChIKey of 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol?
The InChIKey is PKQDALITYNMFIN-UOSOPFLXSA-N. The full InChI is InChI=1S/C27H22N2O2/c30-26-13-11-20(16-22(26)18-28-24-7-3-1-4-8-24)15-21-12-14-27(31)23(17-21)19-29-25-9-5-2-6-10-25/h1-14,16-19,30-31H,15H2/b28-18+,29-19+.
What are the key properties of 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol?
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol has a molecular weight of 406.49 g/mol, XLogP of 6.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol is sourced from PubChem (CID 135588522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).