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

C12H16O — CID 89176252

IUPAC5-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeySYROAYWFMUHGND-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds2

About 5-butan-2-yl-2,3-dihydro-1-benzofuran

5-butan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 89176252) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-butan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-butan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID89176252
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name5-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1ccc2c(c1)CCO2
InChIInChI=1S/C12H16O/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeySYROAYWFMUHGND-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

1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine
CID 43198449
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylbutan-1-amine
CID 104545182
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
(1R)-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylbutan-1-amine;hydrochloride
CID 171202505
1-(2,3-dihydro-1-benzofuran-5-yl)butane-1,2-diol
CID 103454434
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]pentan-3-amine
CID 43756597
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-ethylbutan-1-amine
CID 115718022
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylpentan-3-amine
CID 54954752
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylpropan-1-amine
CID 43756451
N-[1-(2,3-dihydro-1-benzofuran-5-yl)propyl]-2-methylbutan-1-amine
CID 62693058
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 104545189
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-butan-2-yl-2,3-dihydro-1-benzofuran (CID 89176252) is 5-butan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-butan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-butan-2-yl-2,3-dihydro-1-benzofuran is CCC(C)c1ccc2c(c1)CCO2.
What is the InChIKey of 5-butan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is SYROAYWFMUHGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9(2)10-4-5-12-11(8-10)6-7-13-12/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 5-butan-2-yl-2,3-dihydro-1-benzofuran?
5-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 5-butan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 89176252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).