(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

C30H34O8 — CID 10673588

IUPAC(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
SMILESCOc1cc(OC)c2c(c1)[C@@H]1[C@@H](CO[C@H]1c1ccc(OC)c(OC)c1)[C@@H]2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C30H34O8/c1-31-18-13-19-27-20(15-38-29(27)16-8-9-21(32-2)22(10-16)33-3)26(28(19)23(14-18)34-4)17-11-24(35-5)30(37-7)25(12-17)36-6/h8-14,20,26-27,29H,15H2,1-7H3/t20-,26-,27+,29-/m0/s1
InChIKeyHTQPKGBCGFYTTD-JXWHJRSQSA-N
MW522.59 g/mol
LogP5.36
Rot. Bonds9

About (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

(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 (PubChem CID 10673588) has the molecular formula C30H34O8 and a molecular weight of 522.59 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10673588
Molecular FormulaC30H34O8
Molecular Weight522.59 g/mol
Exact Mass522.23
IUPAC Name(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
SMILESCOc1cc(OC)c2c(c1)[C@@H]1[C@@H](CO[C@H]1c1ccc(OC)c(OC)c1)[C@@H]2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C30H34O8/c1-31-18-13-19-27-20(15-38-29(27)16-8-9-21(32-2)22(10-16)33-3)26(28(19)23(14-18)34-4)17-11-24(35-5)30(37-7)25(12-17)36-6/h8-14,20,26-27,29H,15H2,1-7H3/t20-,26-,27+,29-/m0/s1
InChIKeyHTQPKGBCGFYTTD-JXWHJRSQSA-N
XLogP5.36
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,3aS,6R,6aR)-3-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 163081076
(3R,3aS,6S,6aS)-3-(3,5-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 134715183
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
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
(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
5-[(3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-4-methoxy-1,3-benzodioxole
CID 637889
(3aS,4R,8bS)-5,7-dimethoxy-4-phenyl-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan
CID 57342578
[4-[6-[3,5-dimethoxy-4-(2-methylbut-2-enoyloxy)phenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenyl] 2-methylbut-2-enoate
CID 162857565
4-[(3S,3aR,6S,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenol
CID 44555396
(3S,3aS,6R,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-3,3a,6,6a-tetrahydro-1H-furo[3,4-c]furan-4-one
CID 162983447
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001
(6R,6aS,12bR)-6-(3,4-dimethoxyphenyl)-3,10,11,12-tetramethoxy-6a,12b-dihydro-6H-isochromeno[3,4-c]chromen-8-one
CID 14463108

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1cc(OC)c2c(c1)[C@@H]1[C@@H](CO[C@H]1c1ccc(OC)c(OC)c1)[C@@H]2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (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?
The InChIKey is HTQPKGBCGFYTTD-JXWHJRSQSA-N. The full InChI is InChI=1S/C30H34O8/c1-31-18-13-19-27-20(15-38-29(27)16-8-9-21(32-2)22(10-16)33-3)26(28(19)23(14-18)34-4)17-11-24(35-5)30(37-7)25(12-17)36-6/h8-14,20,26-27,29H,15H2,1-7H3/t20-,26-,27+,29-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 522.59 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10673588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).