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

C12H16O — CID 89030364

IUPAC7-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1cccc2c1OCC2
InChIInChI=1S/C12H16O/c1-3-9(2)11-6-4-5-10-7-8-13-12(10)11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyPZJXYEPDTKBADY-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.13
Rot. Bonds2

About 7-butan-2-yl-2,3-dihydro-1-benzofuran

7-butan-2-yl-2,3-dihydro-1-benzofuran (PubChem CID 89030364) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-butan-2-yl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name7-butan-2-yl-2,3-dihydro-1-benzofuran
PubChem CID89030364
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name7-butan-2-yl-2,3-dihydro-1-benzofuran
SMILESCCC(C)c1cccc2c1OCC2
InChIInChI=1S/C12H16O/c1-3-9(2)11-6-4-5-10-7-8-13-12(10)11/h4-6,9H,3,7-8H2,1-2H3
InChIKeyPZJXYEPDTKBADY-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-7-yl)ethanol
CID 68614116
4-(3,4-dihydro-2H-chromen-8-yl)pentan-2-amine
CID 114746964
2-amino-1-(2,3-dihydro-1-benzofuran-7-yl)ethanol
CID 102547105
4-butan-2-yl-2,3-dihydro-1-benzofuran
CID 144643347
1-(2,3-dihydro-1-benzofuran-7-yl)-2-propan-2-yloxyethanamine
CID 105189364
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutane-1,2-diol
CID 103448783
1-(3,4-dihydro-2H-chromen-8-yl)-2-methylbutan-1-ol
CID 114743364
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethoxypropyl]hydrazine
CID 105223043
2-(2,3-dihydro-1-benzofuran-7-yl)-2-fluoroethanamine
CID 114747694
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
2,3-dihydro-1-benzofuran-7-yl-(5-ethylfuran-2-yl)methanol
CID 114743365
1-(2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-1-amine
CID 114745358

Frequently Asked Questions

What is the IUPAC name of 7-butan-2-yl-2,3-dihydro-1-benzofuran?
The IUPAC name of 7-butan-2-yl-2,3-dihydro-1-benzofuran (CID 89030364) is 7-butan-2-yl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 7-butan-2-yl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 7-butan-2-yl-2,3-dihydro-1-benzofuran is CCC(C)c1cccc2c1OCC2.
What is the InChIKey of 7-butan-2-yl-2,3-dihydro-1-benzofuran?
The InChIKey is PZJXYEPDTKBADY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-9(2)11-6-4-5-10-7-8-13-12(10)11/h4-6,9H,3,7-8H2,1-2H3.
What are the key properties of 7-butan-2-yl-2,3-dihydro-1-benzofuran?
7-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 7-butan-2-yl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 89030364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).