1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one

C14H18O2 — CID 115814227

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H18O2/c1-3-5-10(2)13(15)12-7-4-6-11-8-9-16-14(11)12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyJUNPONLJTRBQEZ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one (PubChem CID 115814227) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
PubChem CID115814227
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H18O2/c1-3-5-10(2)13(15)12-7-4-6-11-8-9-16-14(11)12/h4,6-7,10H,3,5,8-9H2,1-2H3
InChIKeyJUNPONLJTRBQEZ-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 114747839
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylhexan-1-one
CID 115814156
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
CID 114748121
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one (CID 115814227) is 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one is CCCC(C)C(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one?
The InChIKey is JUNPONLJTRBQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-3-5-10(2)13(15)12-7-4-6-11-8-9-16-14(11)12/h4,6-7,10H,3,5,8-9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one?
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one has a molecular weight of 218.30 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one is sourced from PubChem (CID 115814227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).