2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol

C15H15N3O5 — CID 135520006

IUPAC2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1O
InChIInChI=1S/C15H15N3O5/c1-22-13-7-10(8-14(23-2)15(13)19)9-16-17-11-5-3-4-6-12(11)18(20)21/h3-9,17,19H,1-2H3/b16-9+
InChIKeyJWOPTCJECRDMQB-CXUHLZMHSA-N
MW317.30 g/mol
LogP2.76
Rot. Bonds6

About 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol

2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (PubChem CID 135520006) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
PubChem CID135520006
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
SMILESCOc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1O
InChIInChI=1S/C15H15N3O5/c1-22-13-7-10(8-14(23-2)15(13)19)9-16-17-11-5-3-4-6-12(11)18(20)21/h3-9,17,19H,1-2H3/b16-9+
InChIKeyJWOPTCJECRDMQB-CXUHLZMHSA-N
XLogP2.76
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-Hydroxy-3-methoxybenzaldehyde phenylhydrazone
CID 135684904
2-Methoxy-6-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 135623990
2-Methoxy-5-[2-(4-nitrophenyl)carbonohydrazonoyl]phenol
CID 9599642
2-nitro-N-[(3,4,5-trimethoxyphenyl)methylideneamino]aniline
CID 292921
1,3-Benzodioxole-5-carbaldehyde {2-nitrophenyl}hydrazone
CID 9623281
2-methoxy-5-[(E)-[[2-nitro-4-(trifluoromethyl)phenyl]hydrazinylidene]methyl]phenol
CID 9625365
N-[(E)-(2,4-dipropoxyphenyl)methylideneamino]-2-nitroaniline
CID 9654396
4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]-2,6-dimethoxyphenol
CID 135401260
2-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]-5-propoxyphenol
CID 135401262
3-{(E)-[2-(2-nitrophenyl)hydrazinylidene]methyl}benzene-1,2-diol
CID 135403185
N'-[(1E)-(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-nitrobenzohydrazide
CID 135472787
3,4-Dihydroxybenzaldehyde {2-nitrophenyl}hydrazone
CID 135458685

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol (CID 135520006) is 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is COc1cc(/C=N/Nc2ccccc2[N+](=O)[O-])cc(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
The InChIKey is JWOPTCJECRDMQB-CXUHLZMHSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-22-13-7-10(8-14(23-2)15(13)19)9-16-17-11-5-3-4-6-12(11)18(20)21/h3-9,17,19H,1-2H3/b16-9+.
What are the key properties of 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol?
2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol has a molecular weight of 317.30 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(E)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is sourced from PubChem (CID 135520006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).