methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate

C19H18O9 — CID 91973057

IUPACmethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
SMILESCOC(=O)C1Oc2cc(C)oc(=O)c2C1c1cc(OC)c2c(c1OC)OCO2
InChIInChI=1S/C19H18O9/c1-8-5-10-13(18(20)27-8)12(16(28-10)19(21)24-4)9-6-11(22-2)15-17(14(9)23-3)26-7-25-15/h5-6,12,16H,7H2,1-4H3
InChIKeyVYKURCYGTHOKET-UHFFFAOYSA-N
MW390.34 g/mol
LogP1.76
Rot. Bonds4

About methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate

methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate (PubChem CID 91973057) has the molecular formula C19H18O9 and a molecular weight of 390.34 g/mol. Its IUPAC name is methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
PubChem CID91973057
Molecular FormulaC19H18O9
Molecular Weight390.34 g/mol
Exact Mass390.10
IUPAC Namemethyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
SMILESCOC(=O)C1Oc2cc(C)oc(=O)c2C1c1cc(OC)c2c(c1OC)OCO2
InChIInChI=1S/C19H18O9/c1-8-5-10-13(18(20)27-8)12(16(28-10)19(21)24-4)9-6-11(22-2)15-17(14(9)23-3)26-7-25-15/h5-6,12,16H,7H2,1-4H3
InChIKeyVYKURCYGTHOKET-UHFFFAOYSA-N
XLogP1.76
TPSA102.66 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
CID 91973210
methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 97037909
methyl 3-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973030
(2S,3S)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4-oxo-N-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 98085575
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-hydroxy-4-methoxyphenyl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxamide
CID 91973221
methyl 3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972961
methyl (2R,3S)-3-(1,3-benzodioxol-5-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 97037809
(2S,3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425420
ethyl (2R,3R)-4-oxo-3-(2,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544446
(4S)-2-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-7-methyl-5-oxo-4H-pyrano[3,2-c]pyran-3-carbonitrile
CID 1089665
(4S)-4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135968794
4-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-4,8-dihydro-1H-pyrazolo[5,4-e][1,4]thiazepin-7-one
CID 135656123

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The IUPAC name of methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate (CID 91973057) is methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate.
What is the SMILES notation for methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The canonical SMILES for methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate is COC(=O)C1Oc2cc(C)oc(=O)c2C1c1cc(OC)c2c(c1OC)OCO2.
What is the InChIKey of methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The InChIKey is VYKURCYGTHOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O9/c1-8-5-10-13(18(20)27-8)12(16(28-10)19(21)24-4)9-6-11(22-2)15-17(14(9)23-3)26-7-25-15/h5-6,12,16H,7H2,1-4H3.
What are the key properties of methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate has a molecular weight of 390.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate is sourced from PubChem (CID 91973057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).