2-methanehydrazonoyl-4-methoxy-6-methylphenol

C9H12N2O2 — CID 168529679

IUPAC2-methanehydrazonoyl-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(C=NN)c1
InChIInChI=1S/C9H12N2O2/c1-6-3-8(13-2)4-7(5-11-10)9(6)12/h3-5,12H,10H2,1-2H3
InChIKeyIWPTZAQCKQVGFT-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.00
Rot. Bonds2

About 2-methanehydrazonoyl-4-methoxy-6-methylphenol

2-methanehydrazonoyl-4-methoxy-6-methylphenol (PubChem CID 168529679) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-methanehydrazonoyl-4-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-methanehydrazonoyl-4-methoxy-6-methylphenol
PubChem CID168529679
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-methanehydrazonoyl-4-methoxy-6-methylphenol
SMILESCOc1cc(C)c(O)c(C=NN)c1
InChIInChI=1S/C9H12N2O2/c1-6-3-8(13-2)4-7(5-11-10)9(6)12/h3-5,12H,10H2,1-2H3
InChIKeyIWPTZAQCKQVGFT-UHFFFAOYSA-N
XLogP1.00
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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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Related Compounds

2-methanehydrazonoyl-4-methoxy-3,6-dimethylphenol
CID 168529705
2-(2-hydroxy-5-methoxy-3-methylphenyl)-4-methoxy-6-methylphenol
CID 59106217
(3,5-dimethoxyphenyl)methylidenehydrazine
CID 131871774
2-chloro-4-methoxy-6-methylphenol
CID 122163446
2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
CID 168529675
3-chloro-2-methanehydrazonoyl-5-methoxyphenol
CID 168530619
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
(5-bromo-2-methoxy-4-methylphenyl)methylidenehydrazine
CID 168531018
2-bromo-4-chloro-6-methanehydrazonoylphenol
CID 136503874
2-tert-butyl-6-[(2,6-dimethylphenyl)iminomethyl]-4-methoxyphenol
CID 137088814
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
2-hydroxy-4-methoxy-6-methylbenzaldehyde
CID 596815

Frequently Asked Questions

What is the IUPAC name of 2-methanehydrazonoyl-4-methoxy-6-methylphenol?
The IUPAC name of 2-methanehydrazonoyl-4-methoxy-6-methylphenol (CID 168529679) is 2-methanehydrazonoyl-4-methoxy-6-methylphenol.
What is the SMILES notation for 2-methanehydrazonoyl-4-methoxy-6-methylphenol?
The canonical SMILES for 2-methanehydrazonoyl-4-methoxy-6-methylphenol is COc1cc(C)c(O)c(C=NN)c1.
What is the InChIKey of 2-methanehydrazonoyl-4-methoxy-6-methylphenol?
The InChIKey is IWPTZAQCKQVGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-8(13-2)4-7(5-11-10)9(6)12/h3-5,12H,10H2,1-2H3.
What are the key properties of 2-methanehydrazonoyl-4-methoxy-6-methylphenol?
2-methanehydrazonoyl-4-methoxy-6-methylphenol has a molecular weight of 180.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanehydrazonoyl-4-methoxy-6-methylphenol is sourced from PubChem (CID 168529679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).