2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol

C15H15N3O4 — CID 135891680

IUPAC2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H15N3O4/c1-2-22-14-9-11(8-13(15(14)19)18(20)21)10-16-17-12-6-4-3-5-7-12/h3-10,17,19H,2H2,1H3/b16-10-
InChIKeyAFINWZJCKUPLRN-YBEGLDIGSA-N
MW301.30 g/mol
LogP3.15
Rot. Bonds6

About 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol

2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol (PubChem CID 135891680) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
PubChem CID135891680
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
SMILESCCOc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1O
InChIInChI=1S/C15H15N3O4/c1-2-22-14-9-11(8-13(15(14)19)18(20)21)10-16-17-12-6-4-3-5-7-12/h3-10,17,19H,2H2,1H3/b16-10-
InChIKeyAFINWZJCKUPLRN-YBEGLDIGSA-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_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

2-ethoxy-6-nitro-4-(phenyliminomethyl)phenol
CID 137059464
2-ethoxy-4-[(Z)-hydroxyiminomethyl]-6-nitrophenol
CID 136911315
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
methyl N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 135816495
N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 136798711
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135730506
1-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-3-(2-methylphenyl)urea
CID 136781953
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-4-hydroxybenzamide
CID 136733272
(1R)-N-[(Z)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135796336
(1R)-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
CID 135827827
N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]pentanamide
CID 136712228
4-chloro-N-[(3,4-diethoxy-5-nitrophenyl)methylideneamino]aniline
CID 50887152

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The IUPAC name of 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol (CID 135891680) is 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The canonical SMILES for 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol is CCOc1cc(/C=N\Nc2ccccc2)cc([N+](=O)[O-])c1O.
What is the InChIKey of 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
The InChIKey is AFINWZJCKUPLRN-YBEGLDIGSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-14-9-11(8-13(15(14)19)18(20)21)10-16-17-12-6-4-3-5-7-12/h3-10,17,19H,2H2,1H3/b16-10-.
What are the key properties of 2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol?
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)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-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 135891680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).