7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one

C22H24O8 — CID 19049226

IUPAC7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
SMILESCCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc1OC
InChIInChI=1S/C22H24O8/c1-3-6-28-20-7-13(4-5-18(20)27-2)19-10-17(26)22-16(25)8-15(9-21(22)30-19)29-12-14(24)11-23/h4-5,7-10,14,23-25H,3,6,11-12H2,1-2H3
InChIKeyVIFGGTYBXAKJRB-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.69
Rot. Bonds9

About 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one

7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one (PubChem CID 19049226) has the molecular formula C22H24O8 and a molecular weight of 416.43 g/mol. Its IUPAC name is 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
PubChem CID19049226
Molecular FormulaC22H24O8
Molecular Weight416.43 g/mol
Exact Mass416.15
IUPAC Name7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
SMILESCCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc1OC
InChIInChI=1S/C22H24O8/c1-3-6-28-20-7-13(4-5-18(20)27-2)19-10-17(26)22-16(25)8-15(9-21(22)30-19)29-12-14(24)11-23/h4-5,7-10,14,23-25H,3,6,11-12H2,1-2H3
InChIKeyVIFGGTYBXAKJRB-UHFFFAOYSA-N
XLogP2.69
TPSA118.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one?
The IUPAC name of 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one (CID 19049226) is 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one?
The canonical SMILES for 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one is CCCOc1cc(-c2cc(=O)c3c(O)cc(OCC(O)CO)cc3o2)ccc1OC.
What is the InChIKey of 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one?
The InChIKey is VIFGGTYBXAKJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O8/c1-3-6-28-20-7-13(4-5-18(20)27-2)19-10-17(26)22-16(25)8-15(9-21(22)30-19)29-12-14(24)11-23/h4-5,7-10,14,23-25H,3,6,11-12H2,1-2H3.
What are the key properties of 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one?
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one has a molecular weight of 416.43 g/mol, XLogP of 2.69, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one is sourced from PubChem (CID 19049226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).