(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one

C20H20O8 — CID 162961417

IUPAC(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
SMILESCOc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc2c1OCO2
InChIInChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3/t12-/m1/s1
InChIKeyHTRVCOZULPJGLN-GFCCVEGCSA-N
MW388.37 g/mol
LogP3.16
Rot. Bonds5

About (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one

(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one (PubChem CID 162961417) has the molecular formula C20H20O8 and a molecular weight of 388.37 g/mol. Its IUPAC name is (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
PubChem CID162961417
Molecular FormulaC20H20O8
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
SMILESCOc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc2c1OCO2
InChIInChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3/t12-/m1/s1
InChIKeyHTRVCOZULPJGLN-GFCCVEGCSA-N
XLogP3.16
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5,6,7,8-tetramethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one
CID 42608126
5,6,7-trimethoxy-2-(2,3,4,5-tetramethoxyphenyl)-2,3-dihydrochromen-4-one
CID 14332451
(2S)-2-(1,3-benzodioxol-5-yl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10336604
6-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
CID 12697528
(2S)-2-[3,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-2,3-dihydrochromen-4-one
CID 162789454
4-methoxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
CID 3581045
2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788462
(2S)-2-(3,4-dimethoxyphenyl)-5,7,8-trimethoxy-2,3-dihydrochromen-4-one
CID 163028727
(2S)-2-(3,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-2,3-dihydrochromen-4-one
CID 162788463
(2S)-2-(1,3-benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42608067
[(8S,9R,10S)-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] (Z)-2-methylbut-2-enoate
CID 162878860
3-bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide
CID 155812717

Frequently Asked Questions

What is the IUPAC name of (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one (CID 162961417) is (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one is COc1cc([C@H]2CC(=O)c3c(cc(OC)c(OC)c3OC)O2)cc2c1OCO2.
What is the InChIKey of (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one?
The InChIKey is HTRVCOZULPJGLN-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H20O8/c1-22-14-5-10(6-16-18(14)27-9-26-16)12-7-11(21)17-13(28-12)8-15(23-2)19(24-3)20(17)25-4/h5-6,8,12H,7,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one?
(2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one has a molecular weight of 388.37 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,6,7-trimethoxy-2-(7-methoxy-1,3-benzodioxol-5-yl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 162961417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).