2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol

C15H15N3O4 — CID 4097319

IUPAC2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1O
InChIInChI=1S/C15H15N3O4/c1-2-22-14-9-5-6-11(15(14)19)10-16-17-12-7-3-4-8-13(12)18(20)21/h3-10,17,19H,2H2,1H3
InChIKeyPORWBFUMTFFEAP-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.15
Rot. Bonds6

About 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol

2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 4097319) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID4097319
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1O
InChIInChI=1S/C15H15N3O4/c1-2-22-14-9-5-6-11(15(14)19)10-16-17-12-7-3-4-8-13(12)18(20)21/h3-10,17,19H,2H2,1H3
InChIKeyPORWBFUMTFFEAP-UHFFFAOYSA-N
XLogP3.15
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

Analyze 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(E)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 135821570
4-[(2E)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135607771
2-[[4-[(2E)-2-[(3-ethoxy-2-hydroxyphenyl)methylidene]hydrazinyl]-3-nitrophenyl]sulfonylamino]benzoic acid
CID 135613890
2-ethoxy-6-[(phenylhydrazinylidene)methyl]phenol
CID 169381520
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-nitroaniline
CID 6131807
4-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 135679677
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590004
2-methoxy-6-[(Z)-[(3-nitro-2-pyridinyl)hydrazinylidene]methyl]phenol
CID 135458786
N-[(2-ethoxyphenyl)methylideneamino]-2-nitrobenzamide
CID 676026
2-(2-ethoxyphenoxy)-N-[(Z)-(2-nitrophenyl)methylideneamino]acetamide
CID 6044087
methyl N-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]carbamate
CID 2643022
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 7332490

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol (CID 4097319) is 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol is CCOc1cccc(C=NNc2ccccc2[N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is PORWBFUMTFFEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-14-9-5-6-11(15(14)19)10-16-17-12-7-3-4-8-13(12)18(20)21/h3-10,17,19H,2H2,1H3.
What are the key properties of 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 301.30 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 4097319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).