8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol

C15H16O4 — CID 117404601

IUPAC8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol
SMILESCc1cc2c(CCCO)c3oc(C)cc3c(O)c2o1
InChIInChI=1S/C15H16O4/c1-8-6-11-10(4-3-5-16)14-12(7-9(2)18-14)13(17)15(11)19-8/h6-7,16-17H,3-5H2,1-2H3
InChIKeySBASGDAABINKQJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.43
Rot. Bonds3

About 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol

8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol (PubChem CID 117404601) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol.

Molecular Properties

Compound Name8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol
PubChem CID117404601
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Name8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol
SMILESCc1cc2c(CCCO)c3oc(C)cc3c(O)c2o1
InChIInChI=1S/C15H16O4/c1-8-6-11-10(4-3-5-16)14-12(7-9(2)18-14)13(17)15(11)19-8/h6-7,16-17H,3-5H2,1-2H3
InChIKeySBASGDAABINKQJ-UHFFFAOYSA-N
XLogP3.43
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol?
The IUPAC name of 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol (CID 117404601) is 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol.
What is the SMILES notation for 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol?
The canonical SMILES for 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol is Cc1cc2c(CCCO)c3oc(C)cc3c(O)c2o1.
What is the InChIKey of 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol?
The InChIKey is SBASGDAABINKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-8-6-11-10(4-3-5-16)14-12(7-9(2)18-14)13(17)15(11)19-8/h6-7,16-17H,3-5H2,1-2H3.
What are the key properties of 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol?
8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol has a molecular weight of 260.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-hydroxypropyl)-2,6-dimethylfuro[2,3-f][1]benzofuran-4-ol is sourced from PubChem (CID 117404601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).