(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one

C28H24O7 — CID 10096336

IUPAC(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
SMILESCOc1ccccc1[C@@H]1OC2(C[C@H]3Oc4ccccc4C(=O)C3=CO2)O[C@H]1c1ccccc1OC
InChIInChI=1S/C28H24O7/c1-30-21-12-6-4-10-18(21)26-27(19-11-5-7-13-22(19)31-2)35-28(34-26)15-24-20(16-32-28)25(29)17-9-3-8-14-23(17)33-24/h3-14,16,24,26-27H,15H2,1-2H3/t24-,26+,27+/m1/s1
InChIKeyUKHIPZFLDKUHDV-STXQHDJLSA-N
MW472.49 g/mol
LogP5.13
Rot. Bonds4

About (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one

(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one (PubChem CID 10096336) has the molecular formula C28H24O7 and a molecular weight of 472.49 g/mol. Its IUPAC name is (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one.

Molecular Properties

Compound Name(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
PubChem CID10096336
Molecular FormulaC28H24O7
Molecular Weight472.49 g/mol
Exact Mass472.15
IUPAC Name(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one
SMILESCOc1ccccc1[C@@H]1OC2(C[C@H]3Oc4ccccc4C(=O)C3=CO2)O[C@H]1c1ccccc1OC
InChIInChI=1S/C28H24O7/c1-30-21-12-6-4-10-18(21)26-27(19-11-5-7-13-22(19)31-2)35-28(34-26)15-24-20(16-32-28)25(29)17-9-3-8-14-23(17)33-24/h3-14,16,24,26-27H,15H2,1-2H3/t24-,26+,27+/m1/s1
InChIKeyUKHIPZFLDKUHDV-STXQHDJLSA-N
XLogP5.13
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.49
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The IUPAC name of (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one (CID 10096336) is (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one.
What is the SMILES notation for (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The canonical SMILES for (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one is COc1ccccc1[C@@H]1OC2(C[C@H]3Oc4ccccc4C(=O)C3=CO2)O[C@H]1c1ccccc1OC.
What is the InChIKey of (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
The InChIKey is UKHIPZFLDKUHDV-STXQHDJLSA-N. The full InChI is InChI=1S/C28H24O7/c1-30-21-12-6-4-10-18(21)26-27(19-11-5-7-13-22(19)31-2)35-28(34-26)15-24-20(16-32-28)25(29)17-9-3-8-14-23(17)33-24/h3-14,16,24,26-27H,15H2,1-2H3/t24-,26+,27+/m1/s1.
What are the key properties of (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one?
(4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one has a molecular weight of 472.49 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,4'aR,5S)-4,5-bis(2-methoxyphenyl)spiro[1,3-dioxolane-2,3'-4,4a-dihydropyrano[4,3-b]chromene]-10'-one is sourced from PubChem (CID 10096336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).