2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol

C16H17N3O4 — CID 135401262

IUPAC2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C16H17N3O4/c1-2-9-23-13-8-7-12(16(20)10-13)11-17-18-14-5-3-4-6-15(14)19(21)22/h3-8,10-11,18,20H,2,9H2,1H3/b17-11+
InChIKeyGLEPTLUYSWJKQZ-GZTJUZNOSA-N
MW315.33 g/mol
LogP3.54
Rot. Bonds7

About 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol

2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol (PubChem CID 135401262) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol.

Molecular Properties

Compound Name2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
PubChem CID135401262
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
SMILESCCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(O)c1
InChIInChI=1S/C16H17N3O4/c1-2-9-23-13-8-7-12(16(20)10-13)11-17-18-14-5-3-4-6-15(14)19(21)22/h3-8,10-11,18,20H,2,9H2,1H3/b17-11+
InChIKeyGLEPTLUYSWJKQZ-GZTJUZNOSA-N
XLogP3.54
TPSA96.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.54
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'}

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Related Compounds

(Z)-1-(2-methoxybenzylidene)-2-(2-nitrophenyl)hydrazine
CID 5904845
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135520006
2-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 292921
N-[(2-Ethoxyphenyl)methylideneamino]-2-nitro-aniline
CID 5332424
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-2-nitroaniline
CID 9654396
1-(2-nitrophenyl)-3-[[(E)-(6-oxo-4-propoxycyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
CID 135521482
2,4-Dihydroxybenzaldehyde (2,4-dinitrophenyl)hydrazone
CID 135533486
2-nitro-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]aniline
CID 9641225
2-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135401314
2,4-Dihydroxybenzaldehyde (4-nitrophenyl)hydrazone
CID 135403173
2-[N-(2,4-dinitroanilino)-C-(2-hydroxy-4-methoxyphenyl)carbonimidoyl]-5-methoxyphenol
CID 135509463
5-methoxy-2-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 145952041

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The IUPAC name of 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol (CID 135401262) is 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol.
What is the SMILES notation for 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The canonical SMILES for 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol is CCCOc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])c(O)c1.
What is the InChIKey of 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol?
The InChIKey is GLEPTLUYSWJKQZ-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-2-9-23-13-8-7-12(16(20)10-13)11-17-18-14-5-3-4-6-15(14)19(21)22/h3-8,10-11,18,20H,2,9H2,1H3/b17-11+.
What are the key properties of 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol?
2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol has a molecular weight of 315.33 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol is sourced from PubChem (CID 135401262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).