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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Related Compounds

[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
CID 163034233
8-(4-hydroxy-4-methyl-3-oxopent-1-enyl)-7-methoxy-2-phenylchromen-4-one
CID 4047895
(8-methyl-4-oxo-2-phenylchromen-7-yl) benzoate
CID 71602857
[(E)-5-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2-methyl-3-oxopent-4-en-2-yl] acetate
CID 1008477
(7-ethoxycarbonyloxy-4-oxo-2-phenylchromen-8-yl) ethyl carbonate
CID 74763707
8-chloro-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 154647308
2-(4-hydroxyphenyl)-8-methoxychromen-4-one
CID 11687621
2-(5-methoxy-4-oxo-2-phenylchromen-8-yl)acetic acid
CID 50991857
8-fluoro-7-(2-methoxyethoxy)-2-phenylchromen-4-one
CID 178046106
7,8-dihydroxy-2-phenylchromen-4-one
CID 1880
(7-hydroxy-4-oxo-2-phenylchromen-8-yl) N-methylcarbamate
CID 146347086
2-(3,4-dimethoxyphenyl)-6,7,8-trimethoxychromen-4-one
CID 44584772

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).