methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate

C19H20O8 — CID 97037909

IUPACmethyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
SMILESCOC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20O8/c1-9-6-11-15(18(20)26-9)14(17(27-11)19(21)25-5)10-7-12(22-2)16(24-4)13(8-10)23-3/h6-8,14,17H,1-5H3/t14-,17+/m1/s1
InChIKeyRVIKYTSAHWBWMP-PBHICJAKSA-N
MW376.36 g/mol
LogP2.04
Rot. Bonds5

About methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate

methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate (PubChem CID 97037909) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
PubChem CID97037909
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Namemethyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
SMILESCOC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H20O8/c1-9-6-11-15(18(20)26-9)14(17(27-11)19(21)25-5)10-7-12(22-2)16(24-4)13(8-10)23-3/h6-8,14,17H,1-5H3/t14-,17+/m1/s1
InChIKeyRVIKYTSAHWBWMP-PBHICJAKSA-N
XLogP2.04
TPSA93.43 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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
methyl 3-(1,3-benzodioxol-5-yl)-6-methyl-4-oxo-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate
CID 91973030
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
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
N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 91973175
methyl 3-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 91972956
dimethyl (1S,2S,3R,4R)-3,4-bis(3,4,5-trimethoxyphenyl)cyclobutane-1,2-dicarboxylate
CID 122215201
methyl 7-bromo-1-(4-methoxyphenyl)-1,2-dihydrobenzo[e][1]benzofuran-2-carboxylate
CID 102495238
(2S,3S)-3-(3-bromo-4,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 98085565
ethyl 3-(4-hydroxy-3,5-dimethoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 71754351
ethyl (2S,3S)-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxylate
CID 96544747
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425258

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The IUPAC name of methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate (CID 97037909) is methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate.
What is the SMILES notation for methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The canonical SMILES for methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate is COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
The InChIKey is RVIKYTSAHWBWMP-PBHICJAKSA-N. The full InChI is InChI=1S/C19H20O8/c1-9-6-11-15(18(20)26-9)14(17(27-11)19(21)25-5)10-7-12(22-2)16(24-4)13(8-10)23-3/h6-8,14,17H,1-5H3/t14-,17+/m1/s1.
What are the key properties of methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate?
methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate has a molecular weight of 376.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3R)-6-methyl-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]pyran-2-carboxylate is sourced from PubChem (CID 97037909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).