8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one

C22H24O4 — CID 58193079

IUPAC8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one
SMILESCOc1ccc(C23Oc4cc(C)cc(C)c4C2(O)C(=O)C(C)C3C)cc1
InChIInChI=1S/C22H24O4/c1-12-10-13(2)19-18(11-12)26-22(16-6-8-17(25-5)9-7-16)15(4)14(3)20(23)21(19,22)24/h6-11,14-15,24H,1-5H3
InChIKeyGQRXDWZDFBIMIC-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.64
Rot. Bonds2

About 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one

8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one (PubChem CID 58193079) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one.

Molecular Properties

Compound Name8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one
PubChem CID58193079
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one
SMILESCOc1ccc(C23Oc4cc(C)cc(C)c4C2(O)C(=O)C(C)C3C)cc1
InChIInChI=1S/C22H24O4/c1-12-10-13(2)19-18(11-12)26-22(16-6-8-17(25-5)9-7-16)15(4)14(3)20(23)21(19,22)24/h6-11,14-15,24H,1-5H3
InChIKeyGQRXDWZDFBIMIC-UHFFFAOYSA-N
XLogP3.64
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one?
The IUPAC name of 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one (CID 58193079) is 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one.
What is the SMILES notation for 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one?
The canonical SMILES for 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one is COc1ccc(C23Oc4cc(C)cc(C)c4C2(O)C(=O)C(C)C3C)cc1.
What is the InChIKey of 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one?
The InChIKey is GQRXDWZDFBIMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-12-10-13(2)19-18(11-12)26-22(16-6-8-17(25-5)9-7-16)15(4)14(3)20(23)21(19,22)24/h6-11,14-15,24H,1-5H3.
What are the key properties of 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one?
8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8b-hydroxy-3a-(4-methoxyphenyl)-2,3,6,8-tetramethyl-2,3-dihydrocyclopenta[b][1]benzofuran-1-one is sourced from PubChem (CID 58193079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).