(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

C22H26O8 — CID 163193998

IUPAC(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCOc1cccc(O[C@H]2OC[C@H]3[C@@H](Oc4cccc(OC)c4OC)OC[C@@H]23)c1OC
InChIInChI=1S/C22H26O8/c1-23-15-7-5-9-17(19(15)25-3)29-21-13-11-28-22(14(13)12-27-21)30-18-10-6-8-16(24-2)20(18)26-4/h5-10,13-14,21-22H,11-12H2,1-4H3/t13-,14-,21-,22-/m1/s1
InChIKeyNEWIMESFSVSIEO-LPINMEDASA-N
MW418.44 g/mol
LogP3.12
Rot. Bonds8

About (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan

(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (PubChem CID 163193998) has the molecular formula C22H26O8 and a molecular weight of 418.44 g/mol. Its IUPAC name is (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.

Molecular Properties

Compound Name(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
PubChem CID163193998
Molecular FormulaC22H26O8
Molecular Weight418.44 g/mol
Exact Mass418.16
IUPAC Name(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
SMILESCOc1cccc(O[C@H]2OC[C@H]3[C@@H](Oc4cccc(OC)c4OC)OC[C@@H]23)c1OC
InChIInChI=1S/C22H26O8/c1-23-15-7-5-9-17(19(15)25-3)29-21-13-11-28-22(14(13)12-27-21)30-18-10-6-8-16(24-2)20(18)26-4/h5-10,13-14,21-22H,11-12H2,1-4H3/t13-,14-,21-,22-/m1/s1
InChIKeyNEWIMESFSVSIEO-LPINMEDASA-N
XLogP3.12
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-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

1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
(3R,3aR,6S,6aR)-3,6-bis(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan
CID 10049223
(2S,3R,4R,5S)-2-(2-methoxyphenoxy)oxane-3,4,5-triol
CID 758005
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
(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
1-cyclopropyl-2,3-dimethoxybenzene
CID 22923325
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
(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
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
azanylidyneazanium;1,2,3-trimethoxybenzene;tetrafluoroborate
CID 174894869
phenol;1,2,3-trimethoxybenzene
CID 174871155
6-(2,3-dimethoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83822143

Frequently Asked Questions

What is the IUPAC name of (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The IUPAC name of (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan (CID 163193998) is (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan.
What is the SMILES notation for (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The canonical SMILES for (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is COc1cccc(O[C@H]2OC[C@H]3[C@@H](Oc4cccc(OC)c4OC)OC[C@@H]23)c1OC.
What is the InChIKey of (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
The InChIKey is NEWIMESFSVSIEO-LPINMEDASA-N. The full InChI is InChI=1S/C22H26O8/c1-23-15-7-5-9-17(19(15)25-3)29-21-13-11-28-22(14(13)12-27-21)30-18-10-6-8-16(24-2)20(18)26-4/h5-10,13-14,21-22H,11-12H2,1-4H3/t13-,14-,21-,22-/m1/s1.
What are the key properties of (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan?
(3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan has a molecular weight of 418.44 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aS,6R,6aS)-3,6-bis(2,3-dimethoxyphenoxy)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan is sourced from PubChem (CID 163193998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).