6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol

C21H24O6 — CID 123580498

IUPAC6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
SMILESCOc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)CC3C)cc1
InChIInChI=1S/C21H24O6/c1-12-9-18(22)20(23)19-16(26-4)10-15(25-3)11-17(19)27-21(12,20)13-5-7-14(24-2)8-6-13/h5-8,10-12,18,22-23H,9H2,1-4H3
InChIKeyQHIIVLDYYLJSLZ-UHFFFAOYSA-N
MW372.42 g/mol
LogP2.59
Rot. Bonds4

About 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol

6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol (PubChem CID 123580498) has the molecular formula C21H24O6 and a molecular weight of 372.42 g/mol. Its IUPAC name is 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol.

Molecular Properties

Compound Name6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
PubChem CID123580498
Molecular FormulaC21H24O6
Molecular Weight372.42 g/mol
Exact Mass372.16
IUPAC Name6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
SMILESCOc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)CC3C)cc1
InChIInChI=1S/C21H24O6/c1-12-9-18(22)20(23)19-16(26-4)10-15(25-3)11-17(19)27-21(12,20)13-5-7-14(24-2)8-6-13/h5-8,10-12,18,22-23H,9H2,1-4H3
InChIKeyQHIIVLDYYLJSLZ-UHFFFAOYSA-N
XLogP2.59
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3a-(3,4-dimethoxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
CID 163104968
(1R,2R,3aR)-2-amino-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
CID 167066135
[8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl] acetate
CID 72817575
(1S,3R,3aS,8bR)-1,8b-dihydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
CID 45488782
(1R,3S,3aR,8bS)-3a-(4-methoxyphenyl)-6,8-dimethyl-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
CID 11486463
(1R,9S,10R,11S,14S)-1-hydroxy-3,5-dimethoxy-9-(4-methoxyphenyl)-10-phenyl-8,13-dioxatetracyclo[7.5.0.02,7.011,14]tetradeca-2(7),3,5-trien-12-one
CID 102128874
(1R,2R,3S,3aR,8bS)-1-acetyloxy-8b-hydroxy-6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylic acid
CID 44575584
6,8-dimethoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-8b-ol;formic acid
CID 170732891
1,8b-dihydroxy-3a-(4-hydroxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
CID 139416960
(1S,2S,3R,3aS,8bR)-1,8b-dihydroxy-3a-(4-hydroxyphenyl)-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide
CID 155387362
N-[(1R,3S,3aR,8bS)-3a-(4-bromophenyl)-8b-hydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1-yl]acetamide
CID 50994764
(1S,3R,3aS,8bR)-3a-(4-chlorophenyl)-6,8-diethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol
CID 91107305

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol?
The IUPAC name of 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol (CID 123580498) is 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol.
What is the SMILES notation for 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol?
The canonical SMILES for 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol is COc1ccc(C23Oc4cc(OC)cc(OC)c4C2(O)C(O)CC3C)cc1.
What is the InChIKey of 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol?
The InChIKey is QHIIVLDYYLJSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O6/c1-12-9-18(22)20(23)19-16(26-4)10-15(25-3)11-17(19)27-21(12,20)13-5-7-14(24-2)8-6-13/h5-8,10-12,18,22-23H,9H2,1-4H3.
What are the key properties of 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol?
6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol has a molecular weight of 372.42 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethoxy-3a-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-1,8b-diol is sourced from PubChem (CID 123580498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).