5-ethyl-2,3,5,6-tetrahydro-1-benzofuran

C10H14O — CID 167003994

IUPAC5-ethyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCCC1C=C2CCOC2=CC1
InChIInChI=1S/C10H14O/c1-2-8-3-4-10-9(7-8)5-6-11-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOQUJTUGAUIOFAP-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.65
Rot. Bonds1

About 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran

5-ethyl-2,3,5,6-tetrahydro-1-benzofuran (PubChem CID 167003994) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name5-ethyl-2,3,5,6-tetrahydro-1-benzofuran
PubChem CID167003994
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name5-ethyl-2,3,5,6-tetrahydro-1-benzofuran
SMILESCCC1C=C2CCOC2=CC1
InChIInChI=1S/C10H14O/c1-2-8-3-4-10-9(7-8)5-6-11-10/h4,7-8H,2-3,5-6H2,1H3
InChIKeyOQUJTUGAUIOFAP-UHFFFAOYSA-N
XLogP2.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran?
The IUPAC name of 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran (CID 167003994) is 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran.
What is the SMILES notation for 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran?
The canonical SMILES for 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran is CCC1C=C2CCOC2=CC1.
What is the InChIKey of 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran?
The InChIKey is OQUJTUGAUIOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-2-8-3-4-10-9(7-8)5-6-11-10/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran?
5-ethyl-2,3,5,6-tetrahydro-1-benzofuran has a molecular weight of 150.22 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3,5,6-tetrahydro-1-benzofuran is sourced from PubChem (CID 167003994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).