4-(3,5-dimethylphenyl)-2-prop-2-enylfuran

C15H16O — CID 135042233

IUPAC4-(3,5-dimethylphenyl)-2-prop-2-enylfuran
SMILESC=CCc1cc(-c2cc(C)cc(C)c2)co1
InChIInChI=1S/C15H16O/c1-4-5-15-9-14(10-16-15)13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3
InChIKeyPMMRRWTUUFLWJP-UHFFFAOYSA-N
MW212.29 g/mol
LogP4.29
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran

4-(3,5-dimethylphenyl)-2-prop-2-enylfuran (PubChem CID 135042233) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-2-prop-2-enylfuran
PubChem CID135042233
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name4-(3,5-dimethylphenyl)-2-prop-2-enylfuran
SMILESC=CCc1cc(-c2cc(C)cc(C)c2)co1
InChIInChI=1S/C15H16O/c1-4-5-15-9-14(10-16-15)13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3
InChIKeyPMMRRWTUUFLWJP-UHFFFAOYSA-N
XLogP4.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.29
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-(3,5-dimethylphenyl)-2-prop-2-enylfuran?
The IUPAC name of 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran (CID 135042233) is 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran?
The canonical SMILES for 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran is C=CCc1cc(-c2cc(C)cc(C)c2)co1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran?
The InChIKey is PMMRRWTUUFLWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c1-4-5-15-9-14(10-16-15)13-7-11(2)6-12(3)8-13/h4,6-10H,1,5H2,2-3H3.
What are the key properties of 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran?
4-(3,5-dimethylphenyl)-2-prop-2-enylfuran has a molecular weight of 212.29 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-2-prop-2-enylfuran is sourced from PubChem (CID 135042233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).