4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol

C24H30O8 — CID 162962638

IUPAC4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O
InChIInChI=1S/C24H30O8/c1-23-11-31-22(14-9-17(29-5)20(26)18(10-14)30-6)24(23,2)12-32-21(23)13-7-15(27-3)19(25)16(8-13)28-4/h7-10,21-22,25-26H,11-12H2,1-6H3
InChIKeyWMBGFAAYQOSHMX-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.99
Rot. Bonds6

About 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol

4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol (PubChem CID 162962638) has the molecular formula C24H30O8 and a molecular weight of 446.50 g/mol. Its IUPAC name is 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol.

Molecular Properties

Compound Name4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
PubChem CID162962638
Molecular FormulaC24H30O8
Molecular Weight446.50 g/mol
Exact Mass446.19
IUPAC Name4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol
SMILESCOc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O
InChIInChI=1S/C24H30O8/c1-23-11-31-22(14-9-17(29-5)20(26)18(10-14)30-6)24(23,2)12-32-21(23)13-7-15(27-3)19(25)16(8-13)28-4/h7-10,21-22,25-26H,11-12H2,1-6H3
InChIKeyWMBGFAAYQOSHMX-UHFFFAOYSA-N
XLogP3.99
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol with MolForge

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Related Compounds

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,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
4-[(2R)-azetidin-2-yl]-2,6-dimethoxyphenol;hydrochloride
CID 171197135
2-[3-[2-[5-(3,3-dimethyloxetan-2-yl)-2-methoxyphenyl]propan-2-yl]-4-methoxyphenyl]-3,3-dimethyloxetane
CID 58785505
(4R)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171188808
2-(4-hydroxy-3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 53275991
2-(4-bromo-3-methoxyphenyl)-3-tert-butyl-4,4-dimethyloxolan-3-ol
CID 12967236
(4R,5R)-4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 139193326
4-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyloxolan-2-one
CID 72785168
(6R,8S)-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol
CID 6993170
2,6-dimethoxy-4-[(2S)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196234

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol?
The IUPAC name of 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol (CID 162962638) is 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol.
What is the SMILES notation for 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol?
The canonical SMILES for 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol is COc1cc(C2OCC3(C)C(c4cc(OC)c(O)c(OC)c4)OCC23C)cc(OC)c1O.
What is the InChIKey of 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol?
The InChIKey is WMBGFAAYQOSHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O8/c1-23-11-31-22(14-9-17(29-5)20(26)18(10-14)30-6)24(23,2)12-32-21(23)13-7-15(27-3)19(25)16(8-13)28-4/h7-10,21-22,25-26H,11-12H2,1-6H3.
What are the key properties of 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol?
4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol has a molecular weight of 446.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxy-3,5-dimethoxyphenyl)-3a,6a-dimethyl-1,3,4,6-tetrahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol is sourced from PubChem (CID 162962638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).