4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol

C21H19N3O3 — CID 135731345

IUPAC4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N\N(Cc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C21H19N3O3/c25-21-12-11-19(13-20(21)24(26)27)14-22-23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,25H,15-16H2/b22-14-
InChIKeyJCCJTDIOKBATCW-HMAPJEAMSA-N
MW361.40 g/mol
LogP4.34
Rot. Bonds7

About 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol

4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol (PubChem CID 135731345) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol.

Molecular Properties

Compound Name4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol
PubChem CID135731345
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol
SMILESO=[N+]([O-])c1cc(/C=N\N(Cc2ccccc2)Cc2ccccc2)ccc1O
InChIInChI=1S/C21H19N3O3/c25-21-12-11-19(13-20(21)24(26)27)14-22-23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,25H,15-16H2/b22-14-
InChIKeyJCCJTDIOKBATCW-HMAPJEAMSA-N
XLogP4.34
TPSA78.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-(dibenzylhydrazinylidene)methyl]phenol
CID 135409477
N'-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 135813942
4-[(E)-(fluoren-9-ylidenehydrazinylidene)methyl]-2-nitrophenol
CID 135846474
N'-[(4-hydroxy-3-nitrophenyl)methylideneamino]-N-phenylpropanediamide
CID 4567494
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-(3-hydroxyphenyl)acetamide
CID 135405790
4-hydroxy-3-nitrobenzaldehyde
CID 18169
N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 136699135
4-[(2-ethoxyphenyl)iminomethyl]-2-nitrophenol
CID 137050265
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,2-diphenylacetamide
CID 137156037
N-[2-[(2E)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135684451
benzyl N-[3-(4-hydroxy-3-nitrophenyl)prop-2-enyl]carbamate
CID 169472087
4-[[4-(diethylamino)phenyl]iminomethyl]-2-nitrophenol
CID 135581129

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol?
The IUPAC name of 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol (CID 135731345) is 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol.
What is the SMILES notation for 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol?
The canonical SMILES for 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol is O=[N+]([O-])c1cc(/C=N\N(Cc2ccccc2)Cc2ccccc2)ccc1O.
What is the InChIKey of 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol?
The InChIKey is JCCJTDIOKBATCW-HMAPJEAMSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-21-12-11-19(13-20(21)24(26)27)14-22-23(15-17-7-3-1-4-8-17)16-18-9-5-2-6-10-18/h1-14,25H,15-16H2/b22-14-.
What are the key properties of 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol?
4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol has a molecular weight of 361.40 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(dibenzylhydrazinylidene)methyl]-2-nitrophenol is sourced from PubChem (CID 135731345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).