(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol

C26H26O8 — CID 162985338

IUPAC(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
SMILESCOc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O)c(OC)c4)c4c(O)cc(O)cc4[C@H]32)ccc1O
InChIInChI=1S/C26H26O8/c1-31-19-6-12(4-5-17(19)28)26-23-15-9-14(27)10-18(29)24(15)22(16(23)11-34-26)13-7-20(32-2)25(30)21(8-13)33-3/h4-10,16,22-23,26-30H,11H2,1-3H3/t16-,22-,23+,26-/m0/s1
InChIKeyAXSKRNKYMIWHQQ-WBXIOGJFSA-N
MW466.49 g/mol
LogP4.15
Rot. Bonds5

About (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol

(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol (PubChem CID 162985338) has the molecular formula C26H26O8 and a molecular weight of 466.49 g/mol. Its IUPAC name is (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol.

Molecular Properties

Compound Name(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
PubChem CID162985338
Molecular FormulaC26H26O8
Molecular Weight466.49 g/mol
Exact Mass466.16
IUPAC Name(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol
SMILESCOc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O)c(OC)c4)c4c(O)cc(O)cc4[C@H]32)ccc1O
InChIInChI=1S/C26H26O8/c1-31-19-6-12(4-5-17(19)28)26-23-15-9-14(27)10-18(29)24(15)22(16(23)11-34-26)13-7-20(32-2)25(30)21(8-13)33-3/h4-10,16,22-23,26-30H,11H2,1-3H3/t16-,22-,23+,26-/m0/s1
InChIKeyAXSKRNKYMIWHQQ-WBXIOGJFSA-N
XLogP4.15
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol with MolForge

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Related Compounds

5-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxybenzene-1,2-diol
CID 163028163
4-[(3S,6S)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 59871518
4-[(3aS,6aS)-6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 10669690
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
4-[3-(4-hydroxy-3-methoxyphenyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-6-yl]-2-methoxyphenol
CID 162838904
(3S,3aS,6S,6aR)-3-(3,4-dihydroxyphenyl)-6-(4-hydroxy-3-methoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
CID 162994857
4-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-4-yl)-2-methoxyphenol
CID 19009448
2-methoxy-4-[(1S,2S,5R,6S,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 98095301
2-methoxy-4-[(1S,2S,5R,6R,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 6977961
2-methoxy-4-[(1R,2R,5R,6R,9R)-6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl]phenol
CID 929005
(1R,3aS,4R,8bS)-1-(3,4-dimethoxyphenyl)-5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan
CID 10673588
7-[6-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-3-(4-hydroxy-3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 162854280

Frequently Asked Questions

What is the IUPAC name of (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol?
The IUPAC name of (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol (CID 162985338) is (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol.
What is the SMILES notation for (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol?
The canonical SMILES for (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol is COc1cc([C@@H]2OC[C@H]3[C@H](c4cc(OC)c(O)c(OC)c4)c4c(O)cc(O)cc4[C@H]32)ccc1O.
What is the InChIKey of (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol?
The InChIKey is AXSKRNKYMIWHQQ-WBXIOGJFSA-N. The full InChI is InChI=1S/C26H26O8/c1-31-19-6-12(4-5-17(19)28)26-23-15-9-14(27)10-18(29)24(15)22(16(23)11-34-26)13-7-20(32-2)25(30)21(8-13)33-3/h4-10,16,22-23,26-30H,11H2,1-3H3/t16-,22-,23+,26-/m0/s1.
What are the key properties of (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol?
(1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol has a molecular weight of 466.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3aS,4R,8bS)-4-(4-hydroxy-3,5-dimethoxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol is sourced from PubChem (CID 162985338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).