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

C14H18O3 — CID 105135051

IUPAC1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H18O3/c1-2-8-16-9-7-13(15)12-5-3-4-11-6-10-17-14(11)12/h3-5H,2,6-10H2,1H3
InChIKeyMBFUXBLYLRIZMO-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.62
Rot. Bonds6

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

1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one (PubChem CID 105135051) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
PubChem CID105135051
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one
SMILESCCCOCCC(=O)c1cccc2c1OCC2
InChIInChI=1S/C14H18O3/c1-2-8-16-9-7-13(15)12-5-3-4-11-6-10-17-14(11)12/h3-5H,2,6-10H2,1H3
InChIKeyMBFUXBLYLRIZMO-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylsulfanylethanone
CID 114744072
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(ethylamino)ethanone
CID 114747824
1-(2,3-dihydro-1-benzofuran-7-yl)-2-ethylsulfanylethanone
CID 114744136
1-(2,3-dihydro-1-benzofuran-7-yl)-3-(4-methylphenyl)propan-1-one
CID 105135090
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(methylamino)ethanone
CID 96750554
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
2,3-dihydro-1-benzofuran-7-carboxylic acid;hydrochloride
CID 70040488
1-(2-fluorophenyl)-3-propoxypropan-1-one
CID 105085598

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one (CID 105135051) is 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one is CCCOCCC(=O)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one?
The InChIKey is MBFUXBLYLRIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-8-16-9-7-13(15)12-5-3-4-11-6-10-17-14(11)12/h3-5H,2,6-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one?
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-7-yl)-3-propoxypropan-1-one is sourced from PubChem (CID 105135051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).