7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol

C20H30O5 — CID 85224778

IUPAC7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol
SMILESCC1CC(O)C23COC(O)C2CCCC3C1(C)CC(O)c1ccoc1
InChIInChI=1S/C20H30O5/c1-12-8-17(22)20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-6-7-24-10-13/h6-7,10,12,14-18,21-23H,3-5,8-9,11H2,1-2H3
InChIKeyTWSKOIUXIBVCDJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.86
Rot. Bonds3

About 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol

7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol (PubChem CID 85224778) has the molecular formula C20H30O5 and a molecular weight of 350.46 g/mol. Its IUPAC name is 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol.

Molecular Properties

Compound Name7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol
PubChem CID85224778
Molecular FormulaC20H30O5
Molecular Weight350.46 g/mol
Exact Mass350.21
IUPAC Name7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol
SMILESCC1CC(O)C23COC(O)C2CCCC3C1(C)CC(O)c1ccoc1
InChIInChI=1S/C20H30O5/c1-12-8-17(22)20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-6-7-24-10-13/h6-7,10,12,14-18,21-23H,3-5,8-9,11H2,1-2H3
InChIKeyTWSKOIUXIBVCDJ-UHFFFAOYSA-N
XLogP2.86
TPSA83.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol?
The IUPAC name of 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol (CID 85224778) is 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol.
What is the SMILES notation for 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol?
The canonical SMILES for 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol is CC1CC(O)C23COC(O)C2CCCC3C1(C)CC(O)c1ccoc1.
What is the InChIKey of 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol?
The InChIKey is TWSKOIUXIBVCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O5/c1-12-8-17(22)20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)9-15(21)13-6-7-24-10-13/h6-7,10,12,14-18,21-23H,3-5,8-9,11H2,1-2H3.
What are the key properties of 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol?
7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol has a molecular weight of 350.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(furan-3-yl)-2-hydroxyethyl]-7,8-dimethyl-1,3,3a,4,5,6,6a,8,9,10-decahydrobenzo[d][2]benzofuran-3,10-diol is sourced from PubChem (CID 85224778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).