(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate

C12H15NO5 — CID 174497146

IUPAC(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate
SMILESCOc1c(OC(C)=O)cc(N)c(OC(C)=O)c1C
InChIInChI=1S/C12H15NO5/c1-6-11(18-8(3)15)9(13)5-10(12(6)16-4)17-7(2)14/h5H,13H2,1-4H3
InChIKeyAUOOARVKGSNWOR-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.44
Rot. Bonds3

About (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate

(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate (PubChem CID 174497146) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate.

Molecular Properties

Compound Name(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate
PubChem CID174497146
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate
SMILESCOc1c(OC(C)=O)cc(N)c(OC(C)=O)c1C
InChIInChI=1S/C12H15NO5/c1-6-11(18-8(3)15)9(13)5-10(12(6)16-4)17-7(2)14/h5H,13H2,1-4H3
InChIKeyAUOOARVKGSNWOR-UHFFFAOYSA-N
XLogP1.44
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4,5-Trimethoxy-3-methylaniline
CID 23250125
[3-amino-2-[(1R)-cyclohexa-2,4-dien-1-yl]-4,6-dimethoxy-5-methylphenyl] acetate;carbon monoxide;iron
CID 135051424
6-Amino-5-fluoro-7-methoxy-8-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,4-benzodioxine-2,3-dione
CID 169091137
5-Amino-2,4-dimethoxy-3-methylphenol
CID 11041382
(2,4-Dimethoxy-3-methyl-5-nitrophenyl) acetate
CID 121223877
2,4-Dimethoxy-1-(methoxymethoxy)-3-methyl-5-nitrobenzene
CID 10777522
5,5'-Diazido-2,2',3,3',6,6'-hexamethoxy-1,1'-biphenyl
CID 102053162
3-Amino-7,8-dimethoxy-6-nitrochromen-2-one
CID 134912023
2,4,5-trimethoxy-N,3-dimethylaniline
CID 135037705
2,4,5-Trimethoxy-3-prop-2-enylaniline
CID 135038471
7-Amino-5,6-dimethoxychromen-2-one
CID 138963105
5,6-Dimethoxy-7-nitrochromen-2-one
CID 138963183

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate?
The IUPAC name of (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate (CID 174497146) is (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate.
What is the SMILES notation for (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate?
The canonical SMILES for (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate is COc1c(OC(C)=O)cc(N)c(OC(C)=O)c1C.
What is the InChIKey of (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate?
The InChIKey is AUOOARVKGSNWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-6-11(18-8(3)15)9(13)5-10(12(6)16-4)17-7(2)14/h5H,13H2,1-4H3.
What are the key properties of (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate?
(4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate has a molecular weight of 253.25 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetyloxy-5-amino-2-methoxy-3-methylphenyl) acetate is sourced from PubChem (CID 174497146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).