4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

C14H13N3O3 — CID 137100860

IUPAC4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCc1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-2-7-14(18)11(8-10)9-15-16-12-3-5-13(6-4-12)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyVLKGTCRDKUBCAC-OQLLNIDSSA-N
MW271.28 g/mol
LogP3.05
Rot. Bonds4

About 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol

4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 137100860) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID137100860
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCc1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C14H13N3O3/c1-10-2-7-14(18)11(8-10)9-15-16-12-3-5-13(6-4-12)17(19)20/h2-9,16,18H,1H3/b15-9+
InChIKeyVLKGTCRDKUBCAC-OQLLNIDSSA-N
XLogP3.05
TPSA87.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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

Salicylaldehyde phenylhydrazone
CID 135401296
2-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135509553
N-Phenyl-N'-(4-hydroxybenzylidene) hydrazine
CID 135519945
3-{(E)-[2-(4-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403136
2-[(2,4-Dinitro-phenyl)-hydrazonomethyl]-4-nitro-phenol
CID 135537481
2-{1-[(2-Nitro-phenyl)-hydrazono]-ethyl}-phenol
CID 135537585
4-Nitro-2-[(3-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135439762
4-{(1E)-1-[2-(2-nitrophenyl)hydrazinylidene]propyl}phenol
CID 135455069
3-Hydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 9599641
4-Nitro-2-[(2-nitro-phenyl)-hydrazonomethyl]-phenol
CID 135403145
2-[[(3-Nitrophenyl)methylidenehydrazinylidene]methyl]phenol
CID 274053
2-[[3-(2-Nitrophenyl)prop-2-enylidenehydrazinylidene]methyl]phenol
CID 274055

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol (CID 137100860) is 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is Cc1ccc(O)c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is VLKGTCRDKUBCAC-OQLLNIDSSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-10-2-7-14(18)11(8-10)9-15-16-12-3-5-13(6-4-12)17(19)20/h2-9,16,18H,1H3/b15-9+.
What are the key properties of 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol?
4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 271.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 137100860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).