2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

C30H34O10 — CID 145053428

About 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one

2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (PubChem CID 145053428) has the molecular formula C30H34O10 and a molecular weight of 554.59 g/mol. Its IUPAC name is 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

• Compound Name: 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
• PubChem CID: 145053428
• Molecular Formula: C30H34O10
• Molecular Weight: 554.59 g/mol
• Exact Mass: 554.22
• IUPAC Name: 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one
• SMILES: CC(C)C.COCC1Oc2cc(C3Oc4cc(O)cc(O)c4C(=O)C3O)ccc2OC1c1ccc(O)c(OC)c1
• InChI: InChI=1S/C26H24O10.C4H10/c1-32-11-21-25(12-3-5-15(28)18(7-12)33-2)35-17-6-4-13(8-19(17)34-21)26-24(31)23(30)22-16(29)9-14(27)10-20(22)36-26;1-4(2)3/h3-10,21,24-29,31H,11H2,1-2H3;4H,1-3H3
• InChIKey: RIUSHBPFIZSVTC-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 144.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.59
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?

The IUPAC name of 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one (CID 145053428) is 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one.

What is the SMILES notation for 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?

The canonical SMILES for 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is CC(C)C.COCC1Oc2cc(C3Oc4cc(O)cc(O)c4C(=O)C3O)ccc2OC1c1ccc(O)c(OC)c1.

What is the InChIKey of 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?

The InChIKey is RIUSHBPFIZSVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O10.C4H10/c1-32-11-21-25(12-3-5-15(28)18(7-12)33-2)35-17-6-4-13(8-19(17)34-21)26-24(31)23(30)22-16(29)9-14(27)10-20(22)36-26;1-4(2)3/h3-10,21,24-29,31H,11H2,1-2H3;4H,1-3H3.

What are the key properties of 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one?

2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one has a molecular weight of 554.59 g/mol, XLogP of 4.68, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropane;3,5,7-trihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(methoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 145053428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).