[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate

C10H14N2O3 — CID 67761426

IUPAC[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
SMILESCOc1ccc(CNN)c(OC(C)=O)c1
InChIInChI=1S/C10H14N2O3/c1-7(13)15-10-5-9(14-2)4-3-8(10)6-12-11/h3-5,12H,6,11H2,1-2H3
InChIKeyRXWBVMPHLFMAQX-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.58
Rot. Bonds4

About [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate

[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate (PubChem CID 67761426) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate.

Molecular Properties

Compound Name[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
PubChem CID67761426
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate
SMILESCOc1ccc(CNN)c(OC(C)=O)c1
InChIInChI=1S/C10H14N2O3/c1-7(13)15-10-5-9(14-2)4-3-8(10)6-12-11/h3-5,12H,6,11H2,1-2H3
InChIKeyRXWBVMPHLFMAQX-UHFFFAOYSA-N
XLogP0.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-acetyloxy-4-methoxybenzoate
CID 91721012
[2-(2-acetyloxy-4-methoxybenzoyl)-5-methoxyphenyl] acetate
CID 121279078
[4-(hydroxymethyl)-3-methoxyphenyl] acetate
CID 57125799
(3-acetyloxy-4-propylphenyl) acetate
CID 14592780
(2-acetyloxy-5-methoxyphenyl)methyl acetate
CID 14531143
(2,4-dimethoxyphenyl)methylurea
CID 53362457
(3,4-dimethoxyphenyl) acetate
CID 593001
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
methyl 2-acetyloxy-5-methoxybenzoate
CID 131843602
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
CID 11042399
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236

Frequently Asked Questions

What is the IUPAC name of [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate?
The IUPAC name of [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate (CID 67761426) is [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate.
What is the SMILES notation for [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate?
The canonical SMILES for [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate is COc1ccc(CNN)c(OC(C)=O)c1.
What is the InChIKey of [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate?
The InChIKey is RXWBVMPHLFMAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7(13)15-10-5-9(14-2)4-3-8(10)6-12-11/h3-5,12H,6,11H2,1-2H3.
What are the key properties of [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate?
[2-(hydrazinylmethyl)-5-methoxyphenyl] acetate has a molecular weight of 210.23 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydrazinylmethyl)-5-methoxyphenyl] acetate is sourced from PubChem (CID 67761426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).