2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

C22H21NO2 — CID 135720813

IUPAC2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1C
InChIInChI=1S/C22H21NO2/c1-15-10-20(22(25)11-16(15)2)23-14-19-13-18(8-9-21(19)24)12-17-6-4-3-5-7-17/h3-11,13-14,24-25H,12H2,1-2H3/b23-14+
InChIKeyLVKIXZMJMOBMAA-OEAKJJBVSA-N
MW331.42 g/mol
LogP5.06
Rot. Bonds4

About 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol

2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (PubChem CID 135720813) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
PubChem CID135720813
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
SMILESCc1cc(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1C
InChIInChI=1S/C22H21NO2/c1-15-10-20(22(25)11-16(15)2)23-14-19-13-18(8-9-21(19)24)12-17-6-4-3-5-7-17/h3-11,13-14,24-25H,12H2,1-2H3/b23-14+
InChIKeyLVKIXZMJMOBMAA-OEAKJJBVSA-N
XLogP5.06
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4-tert-butyl-6-chlorophenol
CID 3788180
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169382303
2-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-5-methylphenol
CID 4010995
4-benzyl-2-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 4021463
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
4-benzyl-2-[(2-hydroxy-5-methylphenyl)iminomethyl]-6-nitrophenol
CID 3923756

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The IUPAC name of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol (CID 135720813) is 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The canonical SMILES for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is Cc1cc(O)c(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1C.
What is the InChIKey of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
The InChIKey is LVKIXZMJMOBMAA-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H21NO2/c1-15-10-20(22(25)11-16(15)2)23-14-19-13-18(8-9-21(19)24)12-17-6-4-3-5-7-17/h3-11,13-14,24-25H,12H2,1-2H3/b23-14+.
What are the key properties of 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol?
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol has a molecular weight of 331.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol is sourced from PubChem (CID 135720813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).