(2,2-dimethylhydrazinyl) 4-methoxybenzoate

C10H14N2O3 — CID 10656048

IUPAC(2,2-dimethylhydrazinyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ONN(C)C)cc1
InChIInChI=1S/C10H14N2O3/c1-12(2)11-15-10(13)8-4-6-9(14-3)7-5-8/h4-7,11H,1-3H3
InChIKeyQZQLXEZOOBRABH-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.83
Rot. Bonds4

About (2,2-dimethylhydrazinyl) 4-methoxybenzoate

(2,2-dimethylhydrazinyl) 4-methoxybenzoate (PubChem CID 10656048) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2,2-dimethylhydrazinyl) 4-methoxybenzoate.

Molecular Properties

Compound Name(2,2-dimethylhydrazinyl) 4-methoxybenzoate
PubChem CID10656048
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(2,2-dimethylhydrazinyl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)ONN(C)C)cc1
InChIInChI=1S/C10H14N2O3/c1-12(2)11-15-10(13)8-4-6-9(14-3)7-5-8/h4-7,11H,1-3H3
InChIKeyQZQLXEZOOBRABH-UHFFFAOYSA-N
XLogP0.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethylamino 4-methoxybenzoate
CID 87829629
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563
(4-methoxyphenyl)-tris(4-methoxybenzoyl)germylmethanone
CID 140911136
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
3-(4-methoxyphenyl)-N,N-dimethyl-3-oxopropanamide
CID 165177985
methyl 4-[2-(4-methoxyphenyl)propan-2-yl]benzoate
CID 122488284
methyl 4-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]benzoate
CID 742835
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylhydrazinyl) 4-methoxybenzoate?
The IUPAC name of (2,2-dimethylhydrazinyl) 4-methoxybenzoate (CID 10656048) is (2,2-dimethylhydrazinyl) 4-methoxybenzoate.
What is the SMILES notation for (2,2-dimethylhydrazinyl) 4-methoxybenzoate?
The canonical SMILES for (2,2-dimethylhydrazinyl) 4-methoxybenzoate is COc1ccc(C(=O)ONN(C)C)cc1.
What is the InChIKey of (2,2-dimethylhydrazinyl) 4-methoxybenzoate?
The InChIKey is QZQLXEZOOBRABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-12(2)11-15-10(13)8-4-6-9(14-3)7-5-8/h4-7,11H,1-3H3.
What are the key properties of (2,2-dimethylhydrazinyl) 4-methoxybenzoate?
(2,2-dimethylhydrazinyl) 4-methoxybenzoate has a molecular weight of 210.23 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylhydrazinyl) 4-methoxybenzoate is sourced from PubChem (CID 10656048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).