4-benzyl-2-(phenyliminomethyl)phenol

C20H17NO — CID 135819180

IUPAC4-benzyl-2-(phenyliminomethyl)phenol
SMILESOc1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/C20H17NO/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19/h1-12,14-15,22H,13H2/b21-15+
InChIKeyYQCWQKJYPRYWHO-RCCKNPSSSA-N
MW287.36 g/mol
LogP4.73
Rot. Bonds4

About 4-benzyl-2-(phenyliminomethyl)phenol

4-benzyl-2-(phenyliminomethyl)phenol (PubChem CID 135819180) has the molecular formula C20H17NO and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-benzyl-2-(phenyliminomethyl)phenol.

Molecular Properties

Compound Name4-benzyl-2-(phenyliminomethyl)phenol
PubChem CID135819180
Molecular FormulaC20H17NO
Molecular Weight287.36 g/mol
Exact Mass287.13
IUPAC Name4-benzyl-2-(phenyliminomethyl)phenol
SMILESOc1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1
InChIInChI=1S/C20H17NO/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19/h1-12,14-15,22H,13H2/b21-15+
InChIKeyYQCWQKJYPRYWHO-RCCKNPSSSA-N
XLogP4.73
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
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-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
CID 3788180
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
4-benzyl-2-[[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 5222993
4-benzyl-2-bromo-6-[(4-methylphenyl)iminomethyl]phenol
CID 3961983
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(phenyliminomethyl)phenol?
The IUPAC name of 4-benzyl-2-(phenyliminomethyl)phenol (CID 135819180) is 4-benzyl-2-(phenyliminomethyl)phenol.
What is the SMILES notation for 4-benzyl-2-(phenyliminomethyl)phenol?
The canonical SMILES for 4-benzyl-2-(phenyliminomethyl)phenol is Oc1ccc(Cc2ccccc2)cc1/C=N/c1ccccc1.
What is the InChIKey of 4-benzyl-2-(phenyliminomethyl)phenol?
The InChIKey is YQCWQKJYPRYWHO-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H17NO/c22-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-19-9-5-2-6-10-19/h1-12,14-15,22H,13H2/b21-15+.
What are the key properties of 4-benzyl-2-(phenyliminomethyl)phenol?
4-benzyl-2-(phenyliminomethyl)phenol has a molecular weight of 287.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(phenyliminomethyl)phenol is sourced from PubChem (CID 135819180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).