3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran

C15H14O — CID 129286688

IUPAC3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran
SMILESC#C/C(C)=C/c1oc2ccccc2c1CC
InChIInChI=1S/C15H14O/c1-4-11(3)10-15-12(5-2)13-8-6-7-9-14(13)16-15/h1,6-10H,5H2,2-3H3/b11-10+
InChIKeyCBDOGYIJZKMYRE-ZHACJKMWSA-N
MW210.28 g/mol
LogP4.03
Rot. Bonds2

About 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran

3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran (PubChem CID 129286688) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran.

Molecular Properties

Compound Name3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran
PubChem CID129286688
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Name3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran
SMILESC#C/C(C)=C/c1oc2ccccc2c1CC
InChIInChI=1S/C15H14O/c1-4-11(3)10-15-12(5-2)13-8-6-7-9-14(13)16-15/h1,6-10H,5H2,2-3H3/b11-10+
InChIKeyCBDOGYIJZKMYRE-ZHACJKMWSA-N
XLogP4.03
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(3-ethyl-1-benzofuran-2-yl)prop-1-en-2-yl]boronic acid
CID 144781965
3,4-diethylchromen-2-one
CID 11680028
[2-[(E)-2-phenylethenyl]-1-benzofuran-3-yl]methanol
CID 11265190
dibenzofuran;ethanol
CID 174821059
1-(2-ethenyl-1-benzofuran-3-yl)pentan-3-one
CID 101462387
3-amino-3-(3-ethyl-1-benzofuran-2-yl)propan-1-ol
CID 64812611
ethyl (E)-2-cyano-3-(3-hydroxy-1-benzofuran-2-yl)prop-2-enoate
CID 54697350
3-(3-ethyl-1-benzofuran-2-yl)butanoic acid
CID 43211333
(3-ethyl-1-benzofuran-2-yl)-(4-hydroxyphenyl)methanone
CID 12573980
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1-benzofuran-2-carboxylic acid
CID 103252039
[1-(3-ethyl-1-benzofuran-2-yl)ethylideneamino]urea
CID 73010672
ethyl (E)-2-methyl-3-(2-methyl-1-benzofuran-3-yl)prop-2-enoate
CID 104503814

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran?
The IUPAC name of 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran (CID 129286688) is 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran.
What is the SMILES notation for 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran?
The canonical SMILES for 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran is C#C/C(C)=C/c1oc2ccccc2c1CC.
What is the InChIKey of 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran?
The InChIKey is CBDOGYIJZKMYRE-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H14O/c1-4-11(3)10-15-12(5-2)13-8-6-7-9-14(13)16-15/h1,6-10H,5H2,2-3H3/b11-10+.
What are the key properties of 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran?
3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran has a molecular weight of 210.28 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(E)-2-methylbut-1-en-3-ynyl]-1-benzofuran is sourced from PubChem (CID 129286688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).