2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol

C10H13N3O5 — CID 136704595

IUPAC2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc(C=NNCCO)c1O
InChIInChI=1S/C10H13N3O5/c1-18-9-5-8(13(16)17)4-7(10(9)15)6-12-11-2-3-14/h4-6,11,14-15H,2-3H2,1H3
InChIKeyBHLXJTBKUXAYHM-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.22
Rot. Bonds6

About 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol

2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol (PubChem CID 136704595) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
PubChem CID136704595
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol
SMILESCOc1cc([N+](=O)[O-])cc(C=NNCCO)c1O
InChIInChI=1S/C10H13N3O5/c1-18-9-5-8(13(16)17)4-7(10(9)15)6-12-11-2-3-14/h4-6,11,14-15H,2-3H2,1H3
InChIKeyBHLXJTBKUXAYHM-UHFFFAOYSA-N
XLogP0.22
TPSA117.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-methoxy-4-nitro-6-[(E)-(phenylhydrazinylidene)methyl]phenol
CID 136733461
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 136712197
2-[[(3,4-dichlorophenyl)hydrazinylidene]methyl]-6-methoxy-4-nitrophenol
CID 136704644
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 135615203
2-(3,5-dimethylphenoxy)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135879015
2-(4-bromoanilino)-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 135796296
1-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-3-phenylthiourea
CID 135667293
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135504212
2-[2-[(2,4,5-trimethoxyphenyl)methylidene]hydrazinyl]ethanol
CID 110840063
2-amino-N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 136926351
2-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4,6-dimethylphenol
CID 3664795
N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 136919391

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol?
The IUPAC name of 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol (CID 136704595) is 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol?
The canonical SMILES for 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol is COc1cc([N+](=O)[O-])cc(C=NNCCO)c1O.
What is the InChIKey of 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol?
The InChIKey is BHLXJTBKUXAYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-18-9-5-8(13(16)17)4-7(10(9)15)6-12-11-2-3-14/h4-6,11,14-15H,2-3H2,1H3.
What are the key properties of 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol?
2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol has a molecular weight of 255.23 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxyethylhydrazinylidene)methyl]-6-methoxy-4-nitrophenol is sourced from PubChem (CID 136704595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).