(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

C20H22O8 — CID 95224887

IUPAC(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
SMILESCOc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C20H22O8/c1-22-13-7-10-14-11(8-27-15(10)19(25-4)18(13)24-3)9-6-12(21)17(23-2)20(26-5)16(9)28-14/h6-7,11,14,21H,8H2,1-5H3/t11-,14-/m0/s1
InChIKeyYBVIOLRRXMAGAE-FZMZJTMJSA-N
MW390.39 g/mol
LogP3.04
Rot. Bonds5

About (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol

(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol (PubChem CID 95224887) has the molecular formula C20H22O8 and a molecular weight of 390.39 g/mol. Its IUPAC name is (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol.

Molecular Properties

Compound Name(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
PubChem CID95224887
Molecular FormulaC20H22O8
Molecular Weight390.39 g/mol
Exact Mass390.13
IUPAC Name(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
SMILESCOc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C20H22O8/c1-22-13-7-10-14-11(8-27-15(10)19(25-4)18(13)24-3)9-6-12(21)17(23-2)20(26-5)16(9)28-14/h6-7,11,14,21H,8H2,1-5H3/t11-,14-/m0/s1
InChIKeyYBVIOLRRXMAGAE-FZMZJTMJSA-N
XLogP3.04
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol
CID 95224884
(6aR,11aR)-3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
CID 162852583
15,16,17-trimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
CID 85266829
(3,4,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-yl) acetate
CID 162955763
3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(1R,12R)-16,17-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaene
CID 22296258
(1R,13R)-4,16-dimethoxy-12,24-dioxahexacyclo[11.11.0.02,11.05,10.014,23.017,22]tetracosa-2(11),3,5,7,9,14(23),15,17,19,21-decaene
CID 15568466
2,5-dimethoxy-3,4-dimethylphenol
CID 84658444
(1R,12R)-15,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene
CID 44584106
(1R,15R,18S)-4,5,6,9,10-pentamethoxy-18-methyl-17-oxatetracyclo[13.2.1.02,7.08,13]octadeca-2,4,6,8,10,12-hexaen-11-ol
CID 162928828
(6aR,11aR)-10-(3-hydroxy-3-methylbutyl)-9-methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-3-ol
CID 11462431
(2R,11R)-7-methoxy-17,17-dimethyl-4,12,18-trioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(21),5(10),6,8,13,15,19-heptaen-20-ol
CID 25243328

Frequently Asked Questions

What is the IUPAC name of (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The IUPAC name of (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol (CID 95224887) is (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol.
What is the SMILES notation for (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The canonical SMILES for (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol is COc1cc2c(c(OC)c1OC)OC[C@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21.
What is the InChIKey of (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
The InChIKey is YBVIOLRRXMAGAE-FZMZJTMJSA-N. The full InChI is InChI=1S/C20H22O8/c1-22-13-7-10-14-11(8-27-15(10)19(25-4)18(13)24-3)9-6-12(21)17(23-2)20(26-5)16(9)28-14/h6-7,11,14,21H,8H2,1-5H3/t11-,14-/m0/s1.
What are the key properties of (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol?
(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol has a molecular weight of 390.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol is sourced from PubChem (CID 95224887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).