4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol

C22H21NO3 — CID 135799750

IUPAC4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1OC
InChIInChI=1S/C22H21NO3/c1-25-21-11-9-19(14-22(21)26-2)23-15-18-13-17(8-10-20(18)24)12-16-6-4-3-5-7-16/h3-11,13-15,24H,12H2,1-2H3/b23-15+
InChIKeyHHJAOAFEQALRIS-HZHRSRAPSA-N
MW347.41 g/mol
LogP4.75
Rot. Bonds6

About 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol

4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol (PubChem CID 135799750) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
PubChem CID135799750
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC Name4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
SMILESCOc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1OC
InChIInChI=1S/C22H21NO3/c1-25-21-11-9-19(14-22(21)26-2)23-15-18-13-17(8-10-20(18)24)12-16-6-4-3-5-7-16/h3-11,13-15,24H,12H2,1-2H3/b23-15+
InChIKeyHHJAOAFEQALRIS-HZHRSRAPSA-N
XLogP4.75
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 54.75
H-Bond Donors ≤ 51
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-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
azane;4-benzyl-1,2-dimethoxybenzene
CID 69220644
2-[(3-chloro-4-methoxyphenyl)iminomethyl]phenol
CID 964874
4-methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
CID 3788180
4-methoxy-2,5-bis(phenyliminomethyl)phenol
CID 136671201
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
2-[(3-chloro-4-methoxyphenyl)iminomethyl]-4-methoxyphenol
CID 135595566

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol?
The IUPAC name of 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol (CID 135799750) is 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol?
The canonical SMILES for 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol is COc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1OC.
What is the InChIKey of 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol?
The InChIKey is HHJAOAFEQALRIS-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H21NO3/c1-25-21-11-9-19(14-22(21)26-2)23-15-18-13-17(8-10-20(18)24)12-16-6-4-3-5-7-16/h3-11,13-15,24H,12H2,1-2H3/b23-15+.
What are the key properties of 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol?
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol has a molecular weight of 347.41 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol is sourced from PubChem (CID 135799750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).