6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

C22H26O7 — CID 3889081

IUPAC6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCOc1ccc(C2OCC3OC(OC)C(OCc4ccccc4)C(O)C3O2)cc1
InChIInChI=1S/C22H26O7/c1-24-16-10-8-15(9-11-16)21-27-13-17-19(29-21)18(23)20(22(25-2)28-17)26-12-14-6-4-3-5-7-14/h3-11,17-23H,12-13H2,1-2H3
InChIKeyGCNYNGRGHGOIDD-UHFFFAOYSA-N
MW402.44 g/mol
LogP2.43
Rot. Bonds6

About 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol

6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (PubChem CID 3889081) has the molecular formula C22H26O7 and a molecular weight of 402.44 g/mol. Its IUPAC name is 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.

Molecular Properties

Compound Name6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
PubChem CID3889081
Molecular FormulaC22H26O7
Molecular Weight402.44 g/mol
Exact Mass402.17
IUPAC Name6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol
SMILESCOc1ccc(C2OCC3OC(OC)C(OCc4ccccc4)C(O)C3O2)cc1
InChIInChI=1S/C22H26O7/c1-24-16-10-8-15(9-11-16)21-27-13-17-19(29-21)18(23)20(22(25-2)28-17)26-12-14-6-4-3-5-7-14/h3-11,17-23H,12-13H2,1-2H3
InChIKeyGCNYNGRGHGOIDD-UHFFFAOYSA-N
XLogP2.43
TPSA75.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The IUPAC name of 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol (CID 3889081) is 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol.
What is the SMILES notation for 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The canonical SMILES for 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is COc1ccc(C2OCC3OC(OC)C(OCc4ccccc4)C(O)C3O2)cc1.
What is the InChIKey of 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
The InChIKey is GCNYNGRGHGOIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7/c1-24-16-10-8-15(9-11-16)21-27-13-17-19(29-21)18(23)20(22(25-2)28-17)26-12-14-6-4-3-5-7-14/h3-11,17-23H,12-13H2,1-2H3.
What are the key properties of 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol?
6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol has a molecular weight of 402.44 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-methoxyphenyl)-7-phenylmethoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol is sourced from PubChem (CID 3889081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).