4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol

C20H18N2O — CID 169382303

IUPAC4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cc2ccccc2)cc1C=NNc1ccccc1
InChIInChI=1S/C20H18N2O/c23-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-22-19-9-5-2-6-10-19/h1-12,14-15,22-23H,13H2
InChIKeyIHRNWSVXIDVWBY-UHFFFAOYSA-N
MW302.38 g/mol
LogP4.43
Rot. Bonds5

About 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol

4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol (PubChem CID 169382303) has the molecular formula C20H18N2O and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
PubChem CID169382303
Molecular FormulaC20H18N2O
Molecular Weight302.38 g/mol
Exact Mass302.14
IUPAC Name4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol
SMILESOc1ccc(Cc2ccccc2)cc1C=NNc1ccccc1
InChIInChI=1S/C20H18N2O/c23-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-22-19-9-5-2-6-10-19/h1-12,14-15,22-23H,13H2
InChIKeyIHRNWSVXIDVWBY-UHFFFAOYSA-N
XLogP4.43
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-2-(phenyliminomethyl)phenol
CID 135819180
4-fluoro-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381557
4-tert-butyl-2-[(phenylhydrazinylidene)methyl]phenol
CID 169381697
4-[[4-hydroxy-3-[(Z)-hydroxyiminomethyl]phenyl]methyl]-2-[(Z)-hydroxyiminomethyl]phenol
CID 136864512
4-[[4-hydroxy-3-(phenyliminomethyl)phenyl]methyl]-2-(phenyliminomethyl)phenol
CID 135588522
N-[4-[(5-benzyl-2-hydroxyphenyl)methylideneamino]phenyl]propanamide
CID 3328322
2-hydroxy-N-[[2-hydroxy-5-[[4-hydroxy-3-[[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenyl]methyl]phenyl]methylideneamino]benzamide
CID 4531044
2-[(5-benzyl-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135720813
4-(1-adamantyl)-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 137026893
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
CID 136690362
4-benzyl-2-[(3-chloro-4-methylphenyl)iminomethyl]phenol
CID 4141686
4-benzyl-2-[(3,4-dimethoxyphenyl)iminomethyl]phenol
CID 135799750

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol (CID 169382303) is 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol is Oc1ccc(Cc2ccccc2)cc1C=NNc1ccccc1.
What is the InChIKey of 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol?
The InChIKey is IHRNWSVXIDVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O/c23-20-12-11-17(13-16-7-3-1-4-8-16)14-18(20)15-21-22-19-9-5-2-6-10-19/h1-12,14-15,22-23H,13H2.
What are the key properties of 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol?
4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol has a molecular weight of 302.38 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-[(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 169382303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).