1-(1-benzofuran-6-yl)ethenol

C10H8O2 — CID 137387938

IUPAC1-(1-benzofuran-6-yl)ethenol
SMILESC=C(O)c1ccc2ccoc2c1
InChIInChI=1S/C10H8O2/c1-7(11)9-3-2-8-4-5-12-10(8)6-9/h2-6,11H,1H2
InChIKeyDUAKMVMJPJDSII-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.96
Rot. Bonds1

About 1-(1-benzofuran-6-yl)ethenol

1-(1-benzofuran-6-yl)ethenol (PubChem CID 137387938) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 1-(1-benzofuran-6-yl)ethenol.

Molecular Properties

Compound Name1-(1-benzofuran-6-yl)ethenol
PubChem CID137387938
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name1-(1-benzofuran-6-yl)ethenol
SMILESC=C(O)c1ccc2ccoc2c1
InChIInChI=1S/C10H8O2/c1-7(11)9-3-2-8-4-5-12-10(8)6-9/h2-6,11H,1H2
InChIKeyDUAKMVMJPJDSII-UHFFFAOYSA-N
XLogP2.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-6-yl)ethenol?
The IUPAC name of 1-(1-benzofuran-6-yl)ethenol (CID 137387938) is 1-(1-benzofuran-6-yl)ethenol.
What is the SMILES notation for 1-(1-benzofuran-6-yl)ethenol?
The canonical SMILES for 1-(1-benzofuran-6-yl)ethenol is C=C(O)c1ccc2ccoc2c1.
What is the InChIKey of 1-(1-benzofuran-6-yl)ethenol?
The InChIKey is DUAKMVMJPJDSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c1-7(11)9-3-2-8-4-5-12-10(8)6-9/h2-6,11H,1H2.
What are the key properties of 1-(1-benzofuran-6-yl)ethenol?
1-(1-benzofuran-6-yl)ethenol has a molecular weight of 160.17 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-6-yl)ethenol is sourced from PubChem (CID 137387938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).