3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran

C20H20O — CID 142497188

IUPAC3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran
SMILESC=Cc1c(C)oc2c(C)cc(-c3ccccc3C)c(C)c12
InChIInChI=1S/C20H20O/c1-6-16-15(5)21-20-13(3)11-18(14(4)19(16)20)17-10-8-7-9-12(17)2/h6-11H,1H2,2-5H3
InChIKeyVDIURRHOYVKIRT-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.98
Rot. Bonds2

About 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran

3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran (PubChem CID 142497188) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran.

Molecular Properties

Compound Name3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran
PubChem CID142497188
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran
SMILESC=Cc1c(C)oc2c(C)cc(-c3ccccc3C)c(C)c12
InChIInChI=1S/C20H20O/c1-6-16-15(5)21-20-13(3)11-18(14(4)19(16)20)17-10-8-7-9-12(17)2/h6-11H,1H2,2-5H3
InChIKeyVDIURRHOYVKIRT-UHFFFAOYSA-N
XLogP5.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran?
The IUPAC name of 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran (CID 142497188) is 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran.
What is the SMILES notation for 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran?
The canonical SMILES for 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran is C=Cc1c(C)oc2c(C)cc(-c3ccccc3C)c(C)c12.
What is the InChIKey of 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran?
The InChIKey is VDIURRHOYVKIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-6-16-15(5)21-20-13(3)11-18(14(4)19(16)20)17-10-8-7-9-12(17)2/h6-11H,1H2,2-5H3.
What are the key properties of 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran?
3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran has a molecular weight of 276.38 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2,4,7-trimethyl-5-(2-methylphenyl)-1-benzofuran is sourced from PubChem (CID 142497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).