4-butan-2-yl-2,3-dihydro-1-benzofuran

C12H16O — CID 144643347

IUPAC4-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1cccc2c1CCO2
InChIInChI=1S/C12H16O/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-6,9H,3,7-8H2,1-2H3
InChIKeyHGUSRVKZGNJZQK-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds2

About 4-butan-2-yl-2,3-dihydro-1-benzofuran

4-butan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 144643347) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-butan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-butan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID144643347
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name4-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1cccc2c1CCO2
InChIInChI=1S/C12H16O/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-6,9H,3,7-8H2,1-2H3
InChIKeyHGUSRVKZGNJZQK-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89030364
5-butan-2-yl-3,4-dihydro-2H-1,4-benzoxazine
CID 137426093
4-butan-2-yl-5-methyl-2,3-dihydro-1-benzofuran
CID 88975705
4-(bromomethyl)-2,3-dihydro-1-benzofuran
CID 139534248
2,3-dihydro-1-benzofuran-4-yl(oxiran-2-yl)methanol
CID 141406092
(2S)-4-(2,3-dihydro-1-benzofuran-4-yl)butan-2-amine
CID 130612679
4-(2,3-dimethylbutan-2-yl)-2,3-dihydro-1-benzofuran
CID 177208658
1-(2,3-dihydro-1-benzofuran-4-yl)-N,N-dimethylmethanamine
CID 141164132
17,18-di(butan-2-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 4222961
5-propan-2-yl-2,3-dihydrochromen-4-one
CID 131424256
4-(2,3-dihydro-1-benzofuran-4-yl)-1-ethylpiperidine
CID 123608868
(2R)-2-amino-2-(3,4-dihydro-2H-chromen-5-yl)ethanol
CID 131142085

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-butan-2-yl-2,3-dihydro-1-benzofuran (CID 144643347) is 4-butan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-butan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-butan-2-yl-2,3-dihydro-1-benzofuran is CCC(C)c1cccc2c1CCO2.
What is the InChIKey of 4-butan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is HGUSRVKZGNJZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9(2)10-5-4-6-12-11(10)7-8-13-12/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 4-butan-2-yl-2,3-dihydro-1-benzofuran?
4-butan-2-yl-2,3-dihydro-1-benzofuran has a molecular weight of 176.26 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 144643347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).