10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione

C24H30O5 — CID 5045476

IUPAC10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione
SMILESCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2(O)CC(C)(C)CC(=O)C12
InChIInChI=1S/C24H30O5/c1-22(2)10-15(25)20-18(12-22)29-24(27)13-23(3,4)11-16(26)21(24)19(20)14-8-6-7-9-17(14)28-5/h6-9,19,21,27H,10-13H2,1-5H3
InChIKeyNMOVZZLGMACDGB-UHFFFAOYSA-N
MW398.50 g/mol
LogP4.15
Rot. Bonds2

About 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione

10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione (PubChem CID 5045476) has the molecular formula C24H30O5 and a molecular weight of 398.50 g/mol. Its IUPAC name is 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione.

Molecular Properties

Compound Name10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione
PubChem CID5045476
Molecular FormulaC24H30O5
Molecular Weight398.50 g/mol
Exact Mass398.21
IUPAC Name10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione
SMILESCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2(O)CC(C)(C)CC(=O)C12
InChIInChI=1S/C24H30O5/c1-22(2)10-15(25)20-18(12-22)29-24(27)13-23(3,4)11-16(26)21(24)19(20)14-8-6-7-9-17(14)28-5/h6-9,19,21,27H,10-13H2,1-5H3
InChIKeyNMOVZZLGMACDGB-UHFFFAOYSA-N
XLogP4.15
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione?
The IUPAC name of 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione (CID 5045476) is 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione.
What is the SMILES notation for 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione?
The canonical SMILES for 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione is COc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2(O)CC(C)(C)CC(=O)C12.
What is the InChIKey of 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione?
The InChIKey is NMOVZZLGMACDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O5/c1-22(2)10-15(25)20-18(12-22)29-24(27)13-23(3,4)11-16(26)21(24)19(20)14-8-6-7-9-17(14)28-5/h6-9,19,21,27H,10-13H2,1-5H3.
What are the key properties of 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione?
10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione has a molecular weight of 398.50 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10a-hydroxy-9-(2-methoxyphenyl)-3,3,6,6-tetramethyl-2,4,5,7,8a,9-hexahydroxanthene-1,8-dione is sourced from PubChem (CID 5045476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).