8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one

C22H22O6 — CID 162974416

IUPAC8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1O
InChIInChI=1S/C22H22O6/c1-22(2)20(24)18(21(25)28-22)17-15(26-3)10-9-13-14(23)11-16(27-19(13)17)12-7-5-4-6-8-12/h4-11,18,20-21,24-25H,1-3H3
InChIKeyXOVMVTBGLHJLEX-UHFFFAOYSA-N
MW382.41 g/mol
LogP3.04
Rot. Bonds3

About 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one

8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one (PubChem CID 162974416) has the molecular formula C22H22O6 and a molecular weight of 382.41 g/mol. Its IUPAC name is 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one
PubChem CID162974416
Molecular FormulaC22H22O6
Molecular Weight382.41 g/mol
Exact Mass382.14
IUPAC Name8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1O
InChIInChI=1S/C22H22O6/c1-22(2)20(24)18(21(25)28-22)17-15(26-3)10-9-13-14(23)11-16(27-19(13)17)12-7-5-4-6-8-12/h4-11,18,20-21,24-25H,1-3H3
InChIKeyXOVMVTBGLHJLEX-UHFFFAOYSA-N
XLogP3.04
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one?
The IUPAC name of 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one (CID 162974416) is 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one.
What is the SMILES notation for 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one?
The canonical SMILES for 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one is COc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1O.
What is the InChIKey of 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one?
The InChIKey is XOVMVTBGLHJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O6/c1-22(2)20(24)18(21(25)28-22)17-15(26-3)10-9-13-14(23)11-16(27-19(13)17)12-7-5-4-6-8-12/h4-11,18,20-21,24-25H,1-3H3.
What are the key properties of 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one?
8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one has a molecular weight of 382.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dihydroxy-5,5-dimethyloxolan-3-yl)-7-methoxy-2-phenylchromen-4-one is sourced from PubChem (CID 162974416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).