methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

C20H14O7 — CID 91972961

IUPACmethyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14O7/c1-23-20(22)18-15(10-6-7-13-14(8-10)25-9-24-13)16-17(27-18)11-4-2-3-5-12(11)26-19(16)21/h2-8,15,18H,9H2,1H3
InChIKeyBUYSYRZBJJUZQY-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.59
Rot. Bonds2

About methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate

methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (PubChem CID 91972961) has the molecular formula C20H14O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
PubChem CID91972961
Molecular FormulaC20H14O7
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Namemethyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
SMILESCOC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14O7/c1-23-20(22)18-15(10-6-7-13-14(8-10)25-9-24-13)16-17(27-18)11-4-2-3-5-12(11)26-19(16)21/h2-8,15,18H,9H2,1H3
InChIKeyBUYSYRZBJJUZQY-UHFFFAOYSA-N
XLogP2.59
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The IUPAC name of methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate (CID 91972961) is methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate.
What is the SMILES notation for methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The canonical SMILES for methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is COC(=O)C1Oc2c(c(=O)oc3ccccc23)C1c1ccc2c(c1)OCO2.
What is the InChIKey of methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
The InChIKey is BUYSYRZBJJUZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O7/c1-23-20(22)18-15(10-6-7-13-14(8-10)25-9-24-13)16-17(27-18)11-4-2-3-5-12(11)26-19(16)21/h2-8,15,18H,9H2,1H3.
What are the key properties of methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate?
methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate has a molecular weight of 366.33 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate is sourced from PubChem (CID 91972961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).