4-ethenyl-3,4-dihydro-2H-chromene

C11H12O — CID 24976133

IUPAC4-ethenyl-3,4-dihydro-2H-chromene
SMILESC=CC1CCOc2ccccc21
InChIInChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h2-6,9H,1,7-8H2
InChIKeyPEQHQQGNKJAMCC-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.74
Rot. Bonds1

About 4-ethenyl-3,4-dihydro-2H-chromene

4-ethenyl-3,4-dihydro-2H-chromene (PubChem CID 24976133) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 4-ethenyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name4-ethenyl-3,4-dihydro-2H-chromene
PubChem CID24976133
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name4-ethenyl-3,4-dihydro-2H-chromene
SMILESC=CC1CCOc2ccccc21
InChIInChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h2-6,9H,1,7-8H2
InChIKeyPEQHQQGNKJAMCC-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.74
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-ethenyl-3,4-dihydro-2H-chromene?
The IUPAC name of 4-ethenyl-3,4-dihydro-2H-chromene (CID 24976133) is 4-ethenyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 4-ethenyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 4-ethenyl-3,4-dihydro-2H-chromene is C=CC1CCOc2ccccc21.
What is the InChIKey of 4-ethenyl-3,4-dihydro-2H-chromene?
The InChIKey is PEQHQQGNKJAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-2-9-7-8-12-11-6-4-3-5-10(9)11/h2-6,9H,1,7-8H2.
What are the key properties of 4-ethenyl-3,4-dihydro-2H-chromene?
4-ethenyl-3,4-dihydro-2H-chromene has a molecular weight of 160.22 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 24976133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).