4-prop-2-enyl-2,3-dihydro-1-benzofuran

C11H12O — CID 67079342

IUPAC4-prop-2-enyl-2,3-dihydro-1-benzofuran
SMILESC=CCc1cccc2c1CCO2
InChIInChI=1S/C11H12O/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-3,5-6H,1,4,7-8H2
InChIKeyNLEWJYKFZKFOSS-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.35
Rot. Bonds2

About 4-prop-2-enyl-2,3-dihydro-1-benzofuran

4-prop-2-enyl-2,3-dihydro-1-benzofuran (PubChem CID 67079342) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-prop-2-enyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-prop-2-enyl-2,3-dihydro-1-benzofuran
PubChem CID67079342
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-prop-2-enyl-2,3-dihydro-1-benzofuran
SMILESC=CCc1cccc2c1CCO2
InChIInChI=1S/C11H12O/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-3,5-6H,1,4,7-8H2
InChIKeyNLEWJYKFZKFOSS-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.35
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 4-prop-2-enyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-prop-2-enyl-2,3-dihydro-1-benzofuran (CID 67079342) is 4-prop-2-enyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-prop-2-enyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-prop-2-enyl-2,3-dihydro-1-benzofuran is C=CCc1cccc2c1CCO2.
What is the InChIKey of 4-prop-2-enyl-2,3-dihydro-1-benzofuran?
The InChIKey is NLEWJYKFZKFOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-4-9-5-3-6-11-10(9)7-8-12-11/h2-3,5-6H,1,4,7-8H2.
What are the key properties of 4-prop-2-enyl-2,3-dihydro-1-benzofuran?
4-prop-2-enyl-2,3-dihydro-1-benzofuran has a molecular weight of 160.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 67079342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).