1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol

C20H22O4 — CID 59583912

IUPAC1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol
SMILESCc1c(C)c2c(c(C)c1O)C1c3c(C)c(O)c(C)c(C)c3OC1O2
InChIInChI=1S/C20H22O4/c1-7-9(3)18-13(11(5)16(7)21)15-14-12(6)17(22)8(2)10(4)19(14)24-20(15)23-18/h15,20-22H,1-6H3
InChIKeyPNHNCXGZAYQGSW-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.19
Rot. Bonds

About 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol

1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol (PubChem CID 59583912) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol.

Molecular Properties

Compound Name1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol
PubChem CID59583912
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol
SMILESCc1c(C)c2c(c(C)c1O)C1c3c(C)c(O)c(C)c(C)c3OC1O2
InChIInChI=1S/C20H22O4/c1-7-9(3)18-13(11(5)16(7)21)15-14-12(6)17(22)8(2)10(4)19(14)24-20(15)23-18/h15,20-22H,1-6H3
InChIKeyPNHNCXGZAYQGSW-UHFFFAOYSA-N
XLogP4.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol?
The IUPAC name of 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol (CID 59583912) is 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol.
What is the SMILES notation for 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol?
The canonical SMILES for 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol is Cc1c(C)c2c(c(C)c1O)C1c3c(C)c(O)c(C)c(C)c3OC1O2.
What is the InChIKey of 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol?
The InChIKey is PNHNCXGZAYQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-7-9(3)18-13(11(5)16(7)21)15-14-12(6)17(22)8(2)10(4)19(14)24-20(15)23-18/h15,20-22H,1-6H3.
What are the key properties of 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol?
1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol has a molecular weight of 326.39 g/mol, XLogP of 4.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7,8,10-hexamethyl-5a,10b-dihydro-[1]benzofuro[2,3-b][1]benzofuran-2,9-diol is sourced from PubChem (CID 59583912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).