2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane

C19H27N3O5 — CID 123930582

IUPAC2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane
SMILESCCOCc1cc(NNc2ccccc2)cc(COCC)c1O.C[N+](=O)[O-]
InChIInChI=1S/C18H24N2O3.CH3NO2/c1-3-22-12-14-10-17(11-15(18(14)21)13-23-4-2)20-19-16-8-6-5-7-9-16;1-2(3)4/h5-11,19-21H,3-4,12-13H2,1-2H3;1H3
InChIKeyOICGUIPYYBNIDZ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.80
Rot. Bonds9

About 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane

2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane (PubChem CID 123930582) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane.

Molecular Properties

Compound Name2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane
PubChem CID123930582
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane
SMILESCCOCc1cc(NNc2ccccc2)cc(COCC)c1O.C[N+](=O)[O-]
InChIInChI=1S/C18H24N2O3.CH3NO2/c1-3-22-12-14-10-17(11-15(18(14)21)13-23-4-2)20-19-16-8-6-5-7-9-16;1-2(3)4/h5-11,19-21H,3-4,12-13H2,1-2H3;1H3
InChIKeyOICGUIPYYBNIDZ-UHFFFAOYSA-N
XLogP3.80
TPSA105.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

1-ethoxy-2-[5-(2-ethoxy-2-oxoethyl)-2-[hydroxy(oxido)amino]-4-nitrophenyl]-2-(2-phenylhydrazinyl)ethenolate
CID 163122597
2,6-bis[[(2R)-2-hydroxy-2-phenylethoxy]methyl]-4-nitrophenol
CID 12030579
4-[1,1-bis[3,5-bis(ethoxymethyl)-4-hydroxyphenyl]ethyl]-2-(ethoxymethyl)-6-ethylphenol
CID 59541081
ethyl 5-nitro-2-(2-phenylhydrazinyl)benzoate
CID 125464465
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
2-ethoxy-N'-(3-methylphenyl)acetohydrazide
CID 142063179
3,6-dimethyl-4-nitro-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169385238
2-[2-(ethoxymethyl)-4-hydroxyphenyl]acetic acid
CID 141078685
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
ethane;1-(ethoxymethyl)-2-methylbenzene
CID 143583110
3,4-bis(ethoxymethyl)phenol
CID 175162905
ethyl 3-[[5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoate
CID 22526727

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane?
The IUPAC name of 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane (CID 123930582) is 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane.
What is the SMILES notation for 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane?
The canonical SMILES for 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane is CCOCc1cc(NNc2ccccc2)cc(COCC)c1O.C[N+](=O)[O-].
What is the InChIKey of 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane?
The InChIKey is OICGUIPYYBNIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3.CH3NO2/c1-3-22-12-14-10-17(11-15(18(14)21)13-23-4-2)20-19-16-8-6-5-7-9-16;1-2(3)4/h5-11,19-21H,3-4,12-13H2,1-2H3;1H3.
What are the key properties of 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane?
2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane has a molecular weight of 377.44 g/mol, XLogP of 3.80, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethoxymethyl)-4-(2-phenylhydrazinyl)phenol;nitromethane is sourced from PubChem (CID 123930582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).