1-benzofuran-6-ol;ethyl formate

C11H12O4 — CID 159583080

IUPAC1-benzofuran-6-ol;ethyl formate
SMILESCCOC=O.Oc1ccc2ccoc2c1
InChIInChI=1S/C8H6O2.C3H6O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-2-5-3-4/h1-5,9H;3H,2H2,1H3
InChIKeyMJGORIRFNPVFHQ-UHFFFAOYSA-N
MW208.21 g/mol
LogP2.32
Rot. Bonds2

About 1-benzofuran-6-ol;ethyl formate

1-benzofuran-6-ol;ethyl formate (PubChem CID 159583080) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 1-benzofuran-6-ol;ethyl formate.

Molecular Properties

Compound Name1-benzofuran-6-ol;ethyl formate
PubChem CID159583080
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name1-benzofuran-6-ol;ethyl formate
SMILESCCOC=O.Oc1ccc2ccoc2c1
InChIInChI=1S/C8H6O2.C3H6O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-2-5-3-4/h1-5,9H;3H,2H2,1H3
InChIKeyMJGORIRFNPVFHQ-UHFFFAOYSA-N
XLogP2.32
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-6-ol;ethyl formate?
The IUPAC name of 1-benzofuran-6-ol;ethyl formate (CID 159583080) is 1-benzofuran-6-ol;ethyl formate.
What is the SMILES notation for 1-benzofuran-6-ol;ethyl formate?
The canonical SMILES for 1-benzofuran-6-ol;ethyl formate is CCOC=O.Oc1ccc2ccoc2c1.
What is the InChIKey of 1-benzofuran-6-ol;ethyl formate?
The InChIKey is MJGORIRFNPVFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O2.C3H6O2/c9-7-2-1-6-3-4-10-8(6)5-7;1-2-5-3-4/h1-5,9H;3H,2H2,1H3.
What are the key properties of 1-benzofuran-6-ol;ethyl formate?
1-benzofuran-6-ol;ethyl formate has a molecular weight of 208.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-6-ol;ethyl formate is sourced from PubChem (CID 159583080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).