1,3,4,7-tetrahydro-2-benzofuran

C8H10O — CID 155934692

IUPAC1,3,4,7-tetrahydro-2-benzofuran
SMILESC1=CCC2=C(C1)COC2
InChIInChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h1-2H,3-6H2
InChIKeyLBWASYPBGDENEG-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.66
Rot. Bonds

About 1,3,4,7-tetrahydro-2-benzofuran

1,3,4,7-tetrahydro-2-benzofuran (PubChem CID 155934692) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 1,3,4,7-tetrahydro-2-benzofuran.

Molecular Properties

Compound Name1,3,4,7-tetrahydro-2-benzofuran
PubChem CID155934692
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name1,3,4,7-tetrahydro-2-benzofuran
SMILESC1=CCC2=C(C1)COC2
InChIInChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h1-2H,3-6H2
InChIKeyLBWASYPBGDENEG-UHFFFAOYSA-N
XLogP1.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,7-tetrahydro-2-benzofuran?
The IUPAC name of 1,3,4,7-tetrahydro-2-benzofuran (CID 155934692) is 1,3,4,7-tetrahydro-2-benzofuran.
What is the SMILES notation for 1,3,4,7-tetrahydro-2-benzofuran?
The canonical SMILES for 1,3,4,7-tetrahydro-2-benzofuran is C1=CCC2=C(C1)COC2.
What is the InChIKey of 1,3,4,7-tetrahydro-2-benzofuran?
The InChIKey is LBWASYPBGDENEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-4-8-6-9-5-7(8)3-1/h1-2H,3-6H2.
What are the key properties of 1,3,4,7-tetrahydro-2-benzofuran?
1,3,4,7-tetrahydro-2-benzofuran has a molecular weight of 122.17 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,7-tetrahydro-2-benzofuran is sourced from PubChem (CID 155934692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).