(3,5-dimethoxyphenyl)methyl acetate

C11H14O4 — CID 10081835

IUPAC(3,5-dimethoxyphenyl)methyl acetate
SMILESCOc1cc(COC(C)=O)cc(OC)c1
InChIInChI=1S/C11H14O4/c1-8(12)15-7-9-4-10(13-2)6-11(5-9)14-3/h4-6H,7H2,1-3H3
InChIKeyKIRXKGAPUVUMBS-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.77
Rot. Bonds4

About (3,5-dimethoxyphenyl)methyl acetate

(3,5-dimethoxyphenyl)methyl acetate (PubChem CID 10081835) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)methyl acetate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)methyl acetate
PubChem CID10081835
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name(3,5-dimethoxyphenyl)methyl acetate
SMILESCOc1cc(COC(C)=O)cc(OC)c1
InChIInChI=1S/C11H14O4/c1-8(12)15-7-9-4-10(13-2)6-11(5-9)14-3/h4-6H,7H2,1-3H3
InChIKeyKIRXKGAPUVUMBS-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)methyl acetate?
The IUPAC name of (3,5-dimethoxyphenyl)methyl acetate (CID 10081835) is (3,5-dimethoxyphenyl)methyl acetate.
What is the SMILES notation for (3,5-dimethoxyphenyl)methyl acetate?
The canonical SMILES for (3,5-dimethoxyphenyl)methyl acetate is COc1cc(COC(C)=O)cc(OC)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)methyl acetate?
The InChIKey is KIRXKGAPUVUMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)15-7-9-4-10(13-2)6-11(5-9)14-3/h4-6H,7H2,1-3H3.
What are the key properties of (3,5-dimethoxyphenyl)methyl acetate?
(3,5-dimethoxyphenyl)methyl acetate has a molecular weight of 210.23 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)methyl acetate is sourced from PubChem (CID 10081835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).