2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran

C20H20O — CID 145452303

IUPAC2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
SMILESC=Cc1oc2cc(-c3ccc(C)cc3)ccc2c1CCC
InChIInChI=1S/C20H20O/c1-4-6-17-18-12-11-16(13-20(18)21-19(17)5-2)15-9-7-14(3)8-10-15/h5,7-13H,2,4,6H2,1,3H3
InChIKeyKEWSZDKVOBCZEM-UHFFFAOYSA-N
MW276.38 g/mol
LogP6.00
Rot. Bonds4

About 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran

2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran (PubChem CID 145452303) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran.

Molecular Properties

Compound Name2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
PubChem CID145452303
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran
SMILESC=Cc1oc2cc(-c3ccc(C)cc3)ccc2c1CCC
InChIInChI=1S/C20H20O/c1-4-6-17-18-12-11-16(13-20(18)21-19(17)5-2)15-9-7-14(3)8-10-15/h5,7-13H,2,4,6H2,1,3H3
InChIKeyKEWSZDKVOBCZEM-UHFFFAOYSA-N
XLogP6.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-7-(4-methylphenyl)chromen-2-one
CID 131978430
3-ethyl-2-methyl-6-phenyl-1-benzofuran
CID 167310518
9,10-bis(ethenyl)-2-methyl-7-(4-methylphenyl)phenanthrene
CID 167485160
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733
6-(4-fluorophenyl)-3-methyl-1-benzofuran-2-carbaldehyde
CID 122476118
1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
CID 101462387
2,3-bis(ethenyl)-6-ethyl-1-benzofuran;ethane
CID 142061376
4-(4-methylphenyl)-1,2-dipropylbenzene
CID 159068290
2-(8-dibenzofuran-2-yldibenzofuran-1-yl)-4-(2-ethenyl-3-ethyl-1-benzofuran-6-yl)-8-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 175627969
7,17-bis(4-octylphenyl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14(19),15,17-nonaene
CID 118149834
1-ethenyl-4-(4-methylphenyl)benzene;hexane
CID 142178486
2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde
CID 144768178

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran?
The IUPAC name of 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran (CID 145452303) is 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran.
What is the SMILES notation for 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran?
The canonical SMILES for 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran is C=Cc1oc2cc(-c3ccc(C)cc3)ccc2c1CCC.
What is the InChIKey of 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran?
The InChIKey is KEWSZDKVOBCZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-4-6-17-18-12-11-16(13-20(18)21-19(17)5-2)15-9-7-14(3)8-10-15/h5,7-13H,2,4,6H2,1,3H3.
What are the key properties of 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran?
2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran has a molecular weight of 276.38 g/mol, XLogP of 6.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-(4-methylphenyl)-3-propyl-1-benzofuran is sourced from PubChem (CID 145452303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).