7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one

C32H20O8 — CID 163042234

IUPAC7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(Oc4ccc5c(=O)c(-c6ccc7c(c6)OCO7)coc5c4)ccc3c2=O)cc1
InChIInChI=1S/C32H20O8/c1-35-20-5-2-18(3-6-20)25-15-36-28-13-21(7-9-23(28)31(25)33)40-22-8-10-24-29(14-22)37-16-26(32(24)34)19-4-11-27-30(12-19)39-17-38-27/h2-16H,17H2,1H3
InChIKeyRDMNKOJAMVENPJ-UHFFFAOYSA-N
MW532.50 g/mol
LogP6.76
Rot. Bonds5

About 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one

7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 163042234) has the molecular formula C32H20O8 and a molecular weight of 532.50 g/mol. Its IUPAC name is 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
PubChem CID163042234
Molecular FormulaC32H20O8
Molecular Weight532.50 g/mol
Exact Mass532.12
IUPAC Name7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one
SMILESCOc1ccc(-c2coc3cc(Oc4ccc5c(=O)c(-c6ccc7c(c6)OCO7)coc5c4)ccc3c2=O)cc1
InChIInChI=1S/C32H20O8/c1-35-20-5-2-18(3-6-20)25-15-36-28-13-21(7-9-23(28)31(25)33)40-22-8-10-24-29(14-22)37-16-26(32(24)34)19-4-11-27-30(12-19)39-17-38-27/h2-16H,17H2,1H3
InChIKeyRDMNKOJAMVENPJ-UHFFFAOYSA-N
XLogP6.76
TPSA97.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.50
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one (CID 163042234) is 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one is COc1ccc(-c2coc3cc(Oc4ccc5c(=O)c(-c6ccc7c(c6)OCO7)coc5c4)ccc3c2=O)cc1.
What is the InChIKey of 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is RDMNKOJAMVENPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O8/c1-35-20-5-2-18(3-6-20)25-15-36-28-13-21(7-9-23(28)31(25)33)40-22-8-10-24-29(14-22)37-16-26(32(24)34)19-4-11-27-30(12-19)39-17-38-27/h2-16H,17H2,1H3.
What are the key properties of 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one?
7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 532.50 g/mol, XLogP of 6.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl]oxy-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 163042234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).