2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol

C15H14ClN3O4 — CID 135730506

IUPAC2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1O
InChIInChI=1S/C15H14ClN3O4/c1-2-23-14-7-10(6-13(16)15(14)20)9-17-18-11-4-3-5-12(8-11)19(21)22/h3-9,18,20H,2H2,1H3/b17-9+
InChIKeyGEQUKZFMEUTAGA-RQZCQDPDSA-N
MW335.75 g/mol
LogP3.80
Rot. Bonds6

About 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol

2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135730506) has the molecular formula C15H14ClN3O4 and a molecular weight of 335.75 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135730506
Molecular FormulaC15H14ClN3O4
Molecular Weight335.75 g/mol
Exact Mass335.07
IUPAC Name2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1O
InChIInChI=1S/C15H14ClN3O4/c1-2-23-14-7-10(6-13(16)15(14)20)9-17-18-11-4-3-5-12(8-11)19(21)22/h3-9,18,20H,2H2,1H3/b17-9+
InChIKeyGEQUKZFMEUTAGA-RQZCQDPDSA-N
XLogP3.80
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.75
LogP ≤ 53.80
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-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 5098428
2-chloro-4-[[(3-chlorophenyl)hydrazinylidene]methyl]-6-ethoxyphenol
CID 136704630
2-ethoxy-6-nitro-4-[(Z)-(phenylhydrazinylidene)methyl]phenol
CID 135891680
N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842266
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
2-chloro-6-methoxy-4-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135589325
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
N-[(3,5-dimethoxy-4-phenylmethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842185
2-chloro-N-[(E)-(3-ethoxy-4-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 135601206
N-[(E)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-3-nitrobenzenesulfonamide
CID 136873525
2-chloro-6-ethoxy-4-nitrophenol
CID 71327079
4-[(Z)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenol
CID 135593942

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135730506) is 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol is CCOc1cc(/C=N/Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1O.
What is the InChIKey of 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is GEQUKZFMEUTAGA-RQZCQDPDSA-N. The full InChI is InChI=1S/C15H14ClN3O4/c1-2-23-14-7-10(6-13(16)15(14)20)9-17-18-11-4-3-5-12(8-11)19(21)22/h3-9,18,20H,2H2,1H3/b17-9+.
What are the key properties of 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 335.75 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135730506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).