1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one

C14H18O2 — CID 43160511

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O2/c1-10(2)3-5-13(15)11-4-6-14-12(9-11)7-8-16-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyDXLKDKUARAWCFN-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one

1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one (PubChem CID 43160511) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
PubChem CID43160511
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
SMILESCC(C)CCC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C14H18O2/c1-10(2)3-5-13(15)11-4-6-14-12(9-11)7-8-16-14/h4,6,9-10H,3,5,7-8H2,1-2H3
InChIKeyDXLKDKUARAWCFN-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

4-(2-aminoethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-5-methylhexan-1-one
CID 116577947
1-(2,3-dihydro-1-benzofuran-5-yl)undecan-1-one
CID 102469747
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3,4-dimethylpyrrolidin-1-yl)ethanone
CID 79188551
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanone
CID 114981503
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
1-(2,2-dimethyl-3H-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 62325780
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylheptan-1-one
CID 114963747
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanal
CID 116821577
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
5-(2,3-dihydro-1-benzofuran-5-carbonylamino)hexanoic acid
CID 82854914
1-(3,4-dihydro-2H-chromen-6-yl)pentan-1-one
CID 61027347

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one (CID 43160511) is 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one is CC(C)CCC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one?
The InChIKey is DXLKDKUARAWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10(2)3-5-13(15)11-4-6-14-12(9-11)7-8-16-14/h4,6,9-10H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one?
1-(2,3-dihydro-1-benzofuran-5-yl)-4-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-5-yl)-4-methylpentan-1-one is sourced from PubChem (CID 43160511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).