3-ethoxy-1-benzofuran

C10H10O2 — CID 641369

IUPAC3-ethoxy-1-benzofuran
SMILESCCOc1coc2ccccc12
InChIInChI=1S/C10H10O2/c1-2-11-10-7-12-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyVPBPQDVLUPHNGW-UHFFFAOYSA-N
MW162.19 g/mol
LogP2.83
Rot. Bonds2

About 3-ethoxy-1-benzofuran

3-ethoxy-1-benzofuran (PubChem CID 641369) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-ethoxy-1-benzofuran.

Molecular Properties

Compound Name3-ethoxy-1-benzofuran
PubChem CID641369
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-ethoxy-1-benzofuran
SMILESCCOc1coc2ccccc12
InChIInChI=1S/C10H10O2/c1-2-11-10-7-12-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3
InChIKeyVPBPQDVLUPHNGW-UHFFFAOYSA-N
XLogP2.83
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-benzofuran?
The IUPAC name of 3-ethoxy-1-benzofuran (CID 641369) is 3-ethoxy-1-benzofuran.
What is the SMILES notation for 3-ethoxy-1-benzofuran?
The canonical SMILES for 3-ethoxy-1-benzofuran is CCOc1coc2ccccc12.
What is the InChIKey of 3-ethoxy-1-benzofuran?
The InChIKey is VPBPQDVLUPHNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-11-10-7-12-9-6-4-3-5-8(9)10/h3-7H,2H2,1H3.
What are the key properties of 3-ethoxy-1-benzofuran?
3-ethoxy-1-benzofuran has a molecular weight of 162.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-benzofuran is sourced from PubChem (CID 641369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).