[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate

C24H24O7 — CID 163034233

IUPAC[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1OC(C)=O
InChIInChI=1S/C24H24O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-12,20,22-23,27H,1-4H3
InChIKeyLQFYRSWYFPDEHM-UHFFFAOYSA-N
MW424.45 g/mol
LogP3.61
Rot. Bonds4

About [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate

[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate (PubChem CID 163034233) has the molecular formula C24H24O7 and a molecular weight of 424.45 g/mol. Its IUPAC name is [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate.

Molecular Properties

Compound Name[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
PubChem CID163034233
Molecular FormulaC24H24O7
Molecular Weight424.45 g/mol
Exact Mass424.15
IUPAC Name[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate
SMILESCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1OC(C)=O
InChIInChI=1S/C24H24O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-12,20,22-23,27H,1-4H3
InChIKeyLQFYRSWYFPDEHM-UHFFFAOYSA-N
XLogP3.61
TPSA95.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate?
The IUPAC name of [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate (CID 163034233) is [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate.
What is the SMILES notation for [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate?
The canonical SMILES for [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate is COc1ccc2c(=O)cc(-c3ccccc3)oc2c1C1C(O)OC(C)(C)C1OC(C)=O.
What is the InChIKey of [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate?
The InChIKey is LQFYRSWYFPDEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O7/c1-13(25)29-22-20(23(27)31-24(22,2)3)19-17(28-4)11-10-15-16(26)12-18(30-21(15)19)14-8-6-5-7-9-14/h5-12,20,22-23,27H,1-4H3.
What are the key properties of [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate?
[5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate has a molecular weight of 424.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-hydroxy-4-(7-methoxy-4-oxo-2-phenylchromen-8-yl)-2,2-dimethyloxolan-3-yl] acetate is sourced from PubChem (CID 163034233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).