4-methanehydrazonoyl-2,6-dimethoxyphenol

C9H12N2O3 — CID 137207439

IUPAC4-methanehydrazonoyl-2,6-dimethoxyphenol
SMILESCOc1cc(C=NN)cc(OC)c1O
InChIInChI=1S/C9H12N2O3/c1-13-7-3-6(5-11-10)4-8(14-2)9(7)12/h3-5,12H,10H2,1-2H3
InChIKeyIVIABKWDNODTFV-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.70
Rot. Bonds3

About 4-methanehydrazonoyl-2,6-dimethoxyphenol

4-methanehydrazonoyl-2,6-dimethoxyphenol (PubChem CID 137207439) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-methanehydrazonoyl-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-methanehydrazonoyl-2,6-dimethoxyphenol
PubChem CID137207439
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-methanehydrazonoyl-2,6-dimethoxyphenol
SMILESCOc1cc(C=NN)cc(OC)c1O
InChIInChI=1S/C9H12N2O3/c1-13-7-3-6(5-11-10)4-8(14-2)9(7)12/h3-5,12H,10H2,1-2H3
InChIKeyIVIABKWDNODTFV-UHFFFAOYSA-N
XLogP0.70
TPSA77.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methanehydrazonoyl-2,6-dimethoxyphenol?
The IUPAC name of 4-methanehydrazonoyl-2,6-dimethoxyphenol (CID 137207439) is 4-methanehydrazonoyl-2,6-dimethoxyphenol.
What is the SMILES notation for 4-methanehydrazonoyl-2,6-dimethoxyphenol?
The canonical SMILES for 4-methanehydrazonoyl-2,6-dimethoxyphenol is COc1cc(C=NN)cc(OC)c1O.
What is the InChIKey of 4-methanehydrazonoyl-2,6-dimethoxyphenol?
The InChIKey is IVIABKWDNODTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-13-7-3-6(5-11-10)4-8(14-2)9(7)12/h3-5,12H,10H2,1-2H3.
What are the key properties of 4-methanehydrazonoyl-2,6-dimethoxyphenol?
4-methanehydrazonoyl-2,6-dimethoxyphenol has a molecular weight of 196.21 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methanehydrazonoyl-2,6-dimethoxyphenol is sourced from PubChem (CID 137207439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).