2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol

C11H16N2O2 — CID 168529675

IUPAC2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C=NN)c1O
InChIInChI=1S/C11H16N2O2/c1-7(2)8-4-9(6-13-12)11(14)10(5-8)15-3/h4-7,14H,12H2,1-3H3
InChIKeySVWNPWZONOQCIA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.82
Rot. Bonds3

About 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol

2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol (PubChem CID 168529675) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
PubChem CID168529675
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol
SMILESCOc1cc(C(C)C)cc(C=NN)c1O
InChIInChI=1S/C11H16N2O2/c1-7(2)8-4-9(6-13-12)11(14)10(5-8)15-3/h4-7,14H,12H2,1-3H3
InChIKeySVWNPWZONOQCIA-UHFFFAOYSA-N
XLogP1.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.82
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-hydroxy-3-methoxy-5-propan-2-ylphenyl)methylideneamino]thiourea
CID 168534816
2-methoxy-6-[(phenylhydrazinylidene)methyl]-4-propan-2-ylphenol
CID 169382296
manganese(2+);2-methanehydrazonoyl-6-methoxyphenol;dichloride
CID 162116939
2-(aminooxymethyl)-6-methoxy-4-propan-2-ylphenol
CID 117301823
2-methanehydrazonoyl-4-methoxy-6-methylphenol
CID 168529679
2-(2-hydroxypropyl)-6-methoxy-4-propan-2-ylphenol
CID 117322314
4-chloro-2-[[2,6-di(propan-2-yl)phenyl]iminomethyl]-6-methoxyphenol
CID 136669440
1-(2-hydroxy-3-methoxy-5-propan-2-ylphenyl)-2-(methylamino)ethanone
CID 117347105
4-(1-bromoethyl)-2,6-dimethoxyphenol
CID 134832276
2,6-dimethoxy-4-[(1R)-1-methoxyethyl]phenol
CID 155387777
2-[3-[(2-hydroxy-3-methoxy-5-methylphenyl)methylideneamino]propyliminomethyl]-6-methoxy-4-methylphenol
CID 136726824
2-methanehydrazonoyl-4-methoxy-3,6-dimethylphenol
CID 168529705

Frequently Asked Questions

What is the IUPAC name of 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol?
The IUPAC name of 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol (CID 168529675) is 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol.
What is the SMILES notation for 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol?
The canonical SMILES for 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol is COc1cc(C(C)C)cc(C=NN)c1O.
What is the InChIKey of 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol?
The InChIKey is SVWNPWZONOQCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7(2)8-4-9(6-13-12)11(14)10(5-8)15-3/h4-7,14H,12H2,1-3H3.
What are the key properties of 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol?
2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol has a molecular weight of 208.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanehydrazonoyl-6-methoxy-4-propan-2-ylphenol is sourced from PubChem (CID 168529675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).