(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol

C19H20O8 — CID 95224884

IUPAC(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol
SMILESCOc1cc2c(c(O)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C19H20O8/c1-22-12-6-9-14-10(7-26-15(9)13(21)18(12)24-3)8-5-11(20)17(23-2)19(25-4)16(8)27-14/h5-6,10,14,20-21H,7H2,1-4H3/t10-,14+/m1/s1
InChIKeyGYUTYMPIMMYZHM-YGRLFVJLSA-N
MW376.36 g/mol
LogP2.74
Rot. Bonds4

About (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol

(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol (PubChem CID 95224884) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol.

Molecular Properties

Compound Name(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol
PubChem CID95224884
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol
SMILESCOc1cc2c(c(O)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21
InChIInChI=1S/C19H20O8/c1-22-12-6-9-14-10(7-26-15(9)13(21)18(12)24-3)8-5-11(20)17(23-2)19(25-4)16(8)27-14/h5-6,10,14,20-21H,7H2,1-4H3/t10-,14+/m1/s1
InChIKeyGYUTYMPIMMYZHM-YGRLFVJLSA-N
XLogP2.74
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(6aR,11aR)-2,3,4,9,10-pentamethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromen-8-ol
CID 95224887
(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
(2S,10S)-6-hydroxy-7-methoxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),4,6,8,15,17,19-heptaene-14,21-dione
CID 46186835
(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

Frequently Asked Questions

What is the IUPAC name of (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol?
The IUPAC name of (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol (CID 95224884) is (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol.
What is the SMILES notation for (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol?
The canonical SMILES for (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol is COc1cc2c(c(O)c1OC)OC[C@@H]1c3cc(O)c(OC)c(OC)c3O[C@@H]21.
What is the InChIKey of (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol?
The InChIKey is GYUTYMPIMMYZHM-YGRLFVJLSA-N. The full InChI is InChI=1S/C19H20O8/c1-22-12-6-9-14-10(7-26-15(9)13(21)18(12)24-3)8-5-11(20)17(23-2)19(25-4)16(8)27-14/h5-6,10,14,20-21H,7H2,1-4H3/t10-,14+/m1/s1.
What are the key properties of (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol?
(6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol has a molecular weight of 376.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,11aR)-2,3,9,10-tetramethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene-4,8-diol is sourced from PubChem (CID 95224884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).