3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

C18H16O4 — CID 10402297

IUPAC3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol
SMILESOCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2
InChIKeyYQEPMZLWYOAQNI-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.75
Rot. Bonds4

About 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol

3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol (PubChem CID 10402297) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol
PubChem CID10402297
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol
SMILESOCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2
InChIKeyYQEPMZLWYOAQNI-UHFFFAOYSA-N
XLogP3.75
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pachyrrhizin
CID 101277
Egonol
CID 485186
XH-14
CID 6709746
Pongapin
CID 3083586
Dehydroneotenone
CID 100751
2-[3-[2-(1,3-Benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl]propoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 14018771
Salvianolic acid C
CID 13991590
Eupomatenoid 5
CID 6443783
Egonol gentiobioside
CID 74960882
3-Hydroxy-6-methyl-3',4'-methylenedioxyflavone
CID 15939984
2-(6-Hydroxy-2-methoxy-3,4-methylenedioxyphenyl)benzofuran
CID 10891372
Ovalitenone
CID 627910

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol?
The IUPAC name of 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol (CID 10402297) is 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol.
What is the SMILES notation for 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol?
The canonical SMILES for 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol is OCCCc1ccc2oc(-c3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol?
The InChIKey is YQEPMZLWYOAQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c19-7-1-2-12-3-5-15-14(8-12)10-17(22-15)13-4-6-16-18(9-13)21-11-20-16/h3-6,8-10,19H,1-2,7,11H2.
What are the key properties of 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol?
3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol has a molecular weight of 296.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propan-1-ol is sourced from PubChem (CID 10402297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).