2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one

C20H16O6 — CID 70154511

IUPAC2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(C3=COC(Cc4ccccc4)O3)oc2c1
InChIInChI=1S/C20H16O6/c1-23-13-7-8-14-15(10-13)26-20(19(22)18(14)21)16-11-24-17(25-16)9-12-5-3-2-4-6-12/h2-8,10-11,17,22H,9H2,1H3
InChIKeyVGZZRJNLNPNZNV-UHFFFAOYSA-N
MW352.34 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one

2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one (PubChem CID 70154511) has the molecular formula C20H16O6 and a molecular weight of 352.34 g/mol. Its IUPAC name is 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one.

Molecular Properties

Compound Name2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one
PubChem CID70154511
Molecular FormulaC20H16O6
Molecular Weight352.34 g/mol
Exact Mass352.09
IUPAC Name2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one
SMILESCOc1ccc2c(=O)c(O)c(C3=COC(Cc4ccccc4)O3)oc2c1
InChIInChI=1S/C20H16O6/c1-23-13-7-8-14-15(10-13)26-20(19(22)18(14)21)16-11-24-17(25-16)9-12-5-3-2-4-6-12/h2-8,10-11,17,22H,9H2,1H3
InChIKeyVGZZRJNLNPNZNV-UHFFFAOYSA-N
XLogP3.42
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one?
The IUPAC name of 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one (CID 70154511) is 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one.
What is the SMILES notation for 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one?
The canonical SMILES for 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one is COc1ccc2c(=O)c(O)c(C3=COC(Cc4ccccc4)O3)oc2c1.
What is the InChIKey of 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one?
The InChIKey is VGZZRJNLNPNZNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O6/c1-23-13-7-8-14-15(10-13)26-20(19(22)18(14)21)16-11-24-17(25-16)9-12-5-3-2-4-6-12/h2-8,10-11,17,22H,9H2,1H3.
What are the key properties of 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one?
2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one has a molecular weight of 352.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-7-methoxychromen-4-one is sourced from PubChem (CID 70154511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).