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

C15H15N3O4 — CID 5098428

IUPAC2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1O
InChIInChI=1S/C15H15N3O4/c1-2-22-15-8-11(6-7-14(15)19)10-16-17-12-4-3-5-13(9-12)18(20)21/h3-10,17,19H,2H2,1H3
InChIKeyBKWHFSRACCAVPM-UHFFFAOYSA-N
MW301.30 g/mol
LogP3.15
Rot. Bonds6

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

2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 5098428) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID5098428
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCCOc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1O
InChIInChI=1S/C15H15N3O4/c1-2-22-15-8-11(6-7-14(15)19)10-16-17-12-4-3-5-13(9-12)18(20)21/h3-10,17,19H,2H2,1H3
InChIKeyBKWHFSRACCAVPM-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_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

N-[(4-butoxy-3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842266
2-chloro-6-ethoxy-4-[(E)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 135730506
N-[(3-ethoxyphenyl)methylideneamino]-3-nitroaniline
CID 110842391
4-[[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 3280736
4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 136671550
4-[(E)-[(3-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135576630
3-[(Z)-[(3-nitrophenyl)hydrazinylidene]methyl]phenol
CID 9077514
2-ethoxy-4-[[[3-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 136704774
4-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]-2-ethoxyphenol
CID 135675775
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]-4-nitroaniline
CID 139068939
potassium 4-[(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]benzenesulfonate
CID 135458846
2-chloro-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-4-nitrobenzamide
CID 135900983

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol (CID 5098428) is 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol is CCOc1cc(C=NNc2cccc([N+](=O)[O-])c2)ccc1O.
What is the InChIKey of 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is BKWHFSRACCAVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c1-2-22-15-8-11(6-7-14(15)19)10-16-17-12-4-3-5-13(9-12)18(20)21/h3-10,17,19H,2H2,1H3.
What are the key properties of 2-ethoxy-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol?
2-ethoxy-4-[[(3-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-4-[[(3-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 5098428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).