2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

C18H20O7 — CID 4629454

IUPAC2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCc1ccc(OC2OC3COC(c4ccco4)OC3C(O)C2O)cc1
InChIInChI=1S/C18H20O7/c1-10-4-6-11(7-5-10)23-18-15(20)14(19)16-13(24-18)9-22-17(25-16)12-3-2-8-21-12/h2-8,13-20H,9H2,1H3
InChIKeyIPDOSQSTXRLYKD-UHFFFAOYSA-N
MW348.35 g/mol
LogP1.53
Rot. Bonds3

About 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol

2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (PubChem CID 4629454) has the molecular formula C18H20O7 and a molecular weight of 348.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.

Molecular Properties

Compound Name2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
PubChem CID4629454
Molecular FormulaC18H20O7
Molecular Weight348.35 g/mol
Exact Mass348.12
IUPAC Name2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
SMILESCc1ccc(OC2OC3COC(c4ccco4)OC3C(O)C2O)cc1
InChIInChI=1S/C18H20O7/c1-10-4-6-11(7-5-10)23-18-15(20)14(19)16-13(24-18)9-22-17(25-16)12-3-2-8-21-12/h2-8,13-20H,9H2,1H3
InChIKeyIPDOSQSTXRLYKD-UHFFFAOYSA-N
XLogP1.53
TPSA90.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol with MolForge

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Related Compounds

6-(4-chlorophenoxy)-2-(furan-2-yl)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 4629460
N-[(2S,4aR,6S,7S,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897822
2-(furan-2-yl)-6-methoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 6421742
N-[(2S,4aR,6S,7S,8S,8aR)-6-(4-acetylphenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 124897863
N-[2-(furan-2-yl)-8-hydroxy-6-naphthalen-2-yloxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4629810
N-[2-(furan-2-yl)-8-hydroxy-6-(4-methyl-2-oxochromen-7-yl)oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 4967454
N-[(2S,4aR,6R,7R,8S,8aR)-2-(furan-2-yl)-8-hydroxy-6-(2-methoxyphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11887416
N-[(2S,4aS,6R,7S,8R,8aS)-6-(2-chlorophenoxy)-2-(furan-2-yl)-8-hydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 42228290
(2R,4aS,6R,7S,8S,8aR)-6-(4-nitrophenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 125463250
1-[4-[[(2S,4aS,6S,7S,8S,8aR)-2-(3-bromophenyl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]phenyl]ethanone
CID 41137709
(2R,4aR,6S,7R,8R,8aR)-8-methoxy-6-phenoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol
CID 101107751
(4aR,6S,7R,8R,8aS)-7-amino-6-(4-methoxyphenoxy)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
CID 11992234

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The IUPAC name of 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol (CID 4629454) is 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol.
What is the SMILES notation for 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The canonical SMILES for 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is Cc1ccc(OC2OC3COC(c4ccco4)OC3C(O)C2O)cc1.
What is the InChIKey of 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
The InChIKey is IPDOSQSTXRLYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O7/c1-10-4-6-11(7-5-10)23-18-15(20)14(19)16-13(24-18)9-22-17(25-16)12-3-2-8-21-12/h2-8,13-20H,9H2,1H3.
What are the key properties of 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol?
2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol has a molecular weight of 348.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-6-(4-methylphenoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol is sourced from PubChem (CID 4629454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).