methyl 2-(1,3-benzodioxol-2-yl)acetate

C10H10O4 — CID 11401298

IUPACmethyl 2-(1,3-benzodioxol-2-yl)acetate
SMILESCOC(=O)CC1Oc2ccccc2O1
InChIInChI=1S/C10H10O4/c1-12-9(11)6-10-13-7-4-2-3-5-8(7)14-10/h2-5,10H,6H2,1H3
InChIKeyMFCHDOFDFCNUSF-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.35
Rot. Bonds2

About methyl 2-(1,3-benzodioxol-2-yl)acetate

methyl 2-(1,3-benzodioxol-2-yl)acetate (PubChem CID 11401298) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is methyl 2-(1,3-benzodioxol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1,3-benzodioxol-2-yl)acetate
PubChem CID11401298
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Namemethyl 2-(1,3-benzodioxol-2-yl)acetate
SMILESCOC(=O)CC1Oc2ccccc2O1
InChIInChI=1S/C10H10O4/c1-12-9(11)6-10-13-7-4-2-3-5-8(7)14-10/h2-5,10H,6H2,1H3
InChIKeyMFCHDOFDFCNUSF-UHFFFAOYSA-N
XLogP1.35
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-benzodioxol-2-yl)acetate?
The IUPAC name of methyl 2-(1,3-benzodioxol-2-yl)acetate (CID 11401298) is methyl 2-(1,3-benzodioxol-2-yl)acetate.
What is the SMILES notation for methyl 2-(1,3-benzodioxol-2-yl)acetate?
The canonical SMILES for methyl 2-(1,3-benzodioxol-2-yl)acetate is COC(=O)CC1Oc2ccccc2O1.
What is the InChIKey of methyl 2-(1,3-benzodioxol-2-yl)acetate?
The InChIKey is MFCHDOFDFCNUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-12-9(11)6-10-13-7-4-2-3-5-8(7)14-10/h2-5,10H,6H2,1H3.
What are the key properties of methyl 2-(1,3-benzodioxol-2-yl)acetate?
methyl 2-(1,3-benzodioxol-2-yl)acetate has a molecular weight of 194.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-benzodioxol-2-yl)acetate is sourced from PubChem (CID 11401298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).