2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol

C18H14O3 — CID 130411346

IUPAC2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol
SMILESOc1ccc2cc(CCc3cccc4ccoc34)oc2c1
InChIInChI=1S/C18H14O3/c19-15-6-4-14-10-16(21-17(14)11-15)7-5-12-2-1-3-13-8-9-20-18(12)13/h1-4,6,8-11,19H,5,7H2
InChIKeyUWHVZTNSISZTQV-UHFFFAOYSA-N
MW278.31 g/mol
LogP4.67
Rot. Bonds3

About 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol

2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol (PubChem CID 130411346) has the molecular formula C18H14O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol.

Molecular Properties

Compound Name2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol
PubChem CID130411346
Molecular FormulaC18H14O3
Molecular Weight278.31 g/mol
Exact Mass278.09
IUPAC Name2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol
SMILESOc1ccc2cc(CCc3cccc4ccoc34)oc2c1
InChIInChI=1S/C18H14O3/c19-15-6-4-14-10-16(21-17(14)11-15)7-5-12-2-1-3-13-8-9-20-18(12)13/h1-4,6,8-11,19H,5,7H2
InChIKeyUWHVZTNSISZTQV-UHFFFAOYSA-N
XLogP4.67
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol?
The IUPAC name of 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol (CID 130411346) is 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol.
What is the SMILES notation for 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol?
The canonical SMILES for 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol is Oc1ccc2cc(CCc3cccc4ccoc34)oc2c1.
What is the InChIKey of 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol?
The InChIKey is UWHVZTNSISZTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O3/c19-15-6-4-14-10-16(21-17(14)11-15)7-5-12-2-1-3-13-8-9-20-18(12)13/h1-4,6,8-11,19H,5,7H2.
What are the key properties of 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol?
2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol has a molecular weight of 278.31 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-7-yl)ethyl]-1-benzofuran-6-ol is sourced from PubChem (CID 130411346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).