6-but-1-en-2-yl-2,3-dihydro-1-benzofuran

C12H14O — CID 145466674

IUPAC6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(CC)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H14O/c1-3-9(2)11-5-4-10-6-7-13-12(10)8-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJDLWJEULZMKHKM-UHFFFAOYSA-N
MW174.24 g/mol
LogP3.04
Rot. Bonds2

About 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran

6-but-1-en-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 145466674) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
PubChem CID145466674
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
SMILESC=C(CC)c1ccc2c(c1)OCC2
InChIInChI=1S/C12H14O/c1-3-9(2)11-5-4-10-6-7-13-12(10)8-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeyJDLWJEULZMKHKM-UHFFFAOYSA-N
XLogP3.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
CID 89352282
6-ethyl-2,3-dihydro-1-benzofuran
CID 59981216
3-amino-1-(2,3-dihydro-1-benzofuran-6-yl)butan-1-one
CID 130744389
acetylene;6-ethyl-2,3-dihydro-1-benzofuran
CID 174280285
3-(2,3-dihydro-1-benzofuran-6-yl)-2-methylpropan-1-ol
CID 131026060
(E)-4-(2,3-dihydro-1-benzofuran-6-yl)-4-oxobut-2-enal
CID 171527809
tert-butyl 6-(2,3-dihydro-1-benzofuran-6-yl)-6-oxohexanoate
CID 162148051
5-(2,3-dihydro-1-benzofuran-6-yl)-2H-tetrazole
CID 58740446
1-amino-2-(2,3-dihydro-1-benzofuran-6-yl)propan-2-ol
CID 82401989
6-(2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran
CID 59832132
acetic acid;6-methyl-2,3-dihydro-1-benzofuran
CID 156753873
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran (CID 145466674) is 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran is C=C(CC)c1ccc2c(c1)OCC2.
What is the InChIKey of 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is JDLWJEULZMKHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-9(2)11-5-4-10-6-7-13-12(10)8-11/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran?
6-but-1-en-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 174.24 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 145466674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).