(2,4-dimethoxy-3-methylphenyl) acetate

C11H14O4 — CID 10899866

IUPAC(2,4-dimethoxy-3-methylphenyl) acetate
SMILESCOc1ccc(OC(C)=O)c(OC)c1C
InChIInChI=1S/C11H14O4/c1-7-9(13-3)5-6-10(11(7)14-4)15-8(2)12/h5-6H,1-4H3
InChIKeyUVKCKWGLHNZDKQ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.94
Rot. Bonds3

About (2,4-dimethoxy-3-methylphenyl) acetate

(2,4-dimethoxy-3-methylphenyl) acetate (PubChem CID 10899866) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (2,4-dimethoxy-3-methylphenyl) acetate.

Molecular Properties

Compound Name(2,4-dimethoxy-3-methylphenyl) acetate
PubChem CID10899866
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(2,4-dimethoxy-3-methylphenyl) acetate
SMILESCOc1ccc(OC(C)=O)c(OC)c1C
InChIInChI=1S/C11H14O4/c1-7-9(13-3)5-6-10(11(7)14-4)15-8(2)12/h5-6H,1-4H3
InChIKeyUVKCKWGLHNZDKQ-UHFFFAOYSA-N
XLogP1.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-acetyloxy-3-iodo-4-methoxyphenyl) acetate
CID 66651996
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
(3-acetyloxy-4-methoxyphenyl)boronic acid
CID 119084154
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
(4-formyl-2,3-dimethylphenyl) acetate
CID 88936009
(3-bromo-2,6-dimethoxyphenyl) acetate
CID 91102883
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
(6-acetyloxy-5-methoxynaphthalen-2-yl) acetate
CID 19871375
(2,3-diacetyloxy-4-methylphenyl) acetate;(3,4,5-triacetyloxy-2-methylphenyl) acetate
CID 88611295
N-(4-acetamidophenyl)-2,4-dimethoxy-3-methylbenzamide
CID 110763407
1-ethyl-2,4-dimethoxy-3-methylbenzene
CID 524865
N-(2,4-dimethoxy-3-methylphenyl)carbamoyl chloride
CID 115194384

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxy-3-methylphenyl) acetate?
The IUPAC name of (2,4-dimethoxy-3-methylphenyl) acetate (CID 10899866) is (2,4-dimethoxy-3-methylphenyl) acetate.
What is the SMILES notation for (2,4-dimethoxy-3-methylphenyl) acetate?
The canonical SMILES for (2,4-dimethoxy-3-methylphenyl) acetate is COc1ccc(OC(C)=O)c(OC)c1C.
What is the InChIKey of (2,4-dimethoxy-3-methylphenyl) acetate?
The InChIKey is UVKCKWGLHNZDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-9(13-3)5-6-10(11(7)14-4)15-8(2)12/h5-6H,1-4H3.
What are the key properties of (2,4-dimethoxy-3-methylphenyl) acetate?
(2,4-dimethoxy-3-methylphenyl) acetate has a molecular weight of 210.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxy-3-methylphenyl) acetate is sourced from PubChem (CID 10899866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).