(4-methoxy-2,6-dimethylphenyl) acetate

C11H14O3 — CID 11816390

IUPAC(4-methoxy-2,6-dimethylphenyl) acetate
SMILESCOc1cc(C)c(OC(C)=O)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-5-10(13-4)6-8(2)11(7)14-9(3)12/h5-6H,1-4H3
InChIKeyXUJDRPFZRFFGGV-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.24
Rot. Bonds2

About (4-methoxy-2,6-dimethylphenyl) acetate

(4-methoxy-2,6-dimethylphenyl) acetate (PubChem CID 11816390) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (4-methoxy-2,6-dimethylphenyl) acetate.

Molecular Properties

Compound Name(4-methoxy-2,6-dimethylphenyl) acetate
PubChem CID11816390
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(4-methoxy-2,6-dimethylphenyl) acetate
SMILESCOc1cc(C)c(OC(C)=O)c(C)c1
InChIInChI=1S/C11H14O3/c1-7-5-10(13-4)6-8(2)11(7)14-9(3)12/h5-6H,1-4H3
InChIKeyXUJDRPFZRFFGGV-UHFFFAOYSA-N
XLogP2.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trimethoxyphenyl) acetate
CID 68597137
[4-(4-methoxy-3,5-dimethylphenyl)-2,6-dimethylphenyl] acetate;[4-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,6-dimethylphenyl] acetate
CID 164961586
methyl 2,5-diacetyloxy-3-methylbenzoate
CID 156852348
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
[4-[4-[4-(4-acetyloxy-3,5-dimethylbenzoyl)phenoxy]benzoyl]-2,6-dimethylphenyl] acetate
CID 23454592
(7-acetyl-8-acetyloxy-3-methoxy-6-methylnaphthalen-1-yl) acetate
CID 162940775
1-(2-hydroxy-5-methoxy-3-methylphenyl)propan-2-one
CID 84665339
(4-butyl-2,6-dimethylphenyl) acetate
CID 66815406
2-acetyl-5-methoxy-3-methylbenzaldehyde
CID 171021754
4-methoxy-2,6-dimethylbenzoyl chloride
CID 12624144
1-(2-hydroxy-5-methoxy-3-methylphenyl)ethanone
CID 12616793
(4-amino-2,3,6-trimethylphenyl) acetate
CID 87545490

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,6-dimethylphenyl) acetate?
The IUPAC name of (4-methoxy-2,6-dimethylphenyl) acetate (CID 11816390) is (4-methoxy-2,6-dimethylphenyl) acetate.
What is the SMILES notation for (4-methoxy-2,6-dimethylphenyl) acetate?
The canonical SMILES for (4-methoxy-2,6-dimethylphenyl) acetate is COc1cc(C)c(OC(C)=O)c(C)c1.
What is the InChIKey of (4-methoxy-2,6-dimethylphenyl) acetate?
The InChIKey is XUJDRPFZRFFGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-7-5-10(13-4)6-8(2)11(7)14-9(3)12/h5-6H,1-4H3.
What are the key properties of (4-methoxy-2,6-dimethylphenyl) acetate?
(4-methoxy-2,6-dimethylphenyl) acetate has a molecular weight of 194.23 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,6-dimethylphenyl) acetate is sourced from PubChem (CID 11816390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).