1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one

C13H14O2 — CID 65426315

IUPAC1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2c(C)cc(C)cc2o1
InChIInChI=1S/C13H14O2/c1-4-11(14)13-7-10-9(3)5-8(2)6-12(10)15-13/h5-7H,4H2,1-3H3
InChIKeyKLGHWRRSIWOTGG-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.64
Rot. Bonds2

About 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one

1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one (PubChem CID 65426315) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
PubChem CID65426315
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
SMILESCCC(=O)c1cc2c(C)cc(C)cc2o1
InChIInChI=1S/C13H14O2/c1-4-11(14)13-7-10-9(3)5-8(2)6-12(10)15-13/h5-7H,4H2,1-3H3
InChIKeyKLGHWRRSIWOTGG-UHFFFAOYSA-N
XLogP3.64
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-4,6-dimethyl-1-benzofuran-2-yl)propan-1-one
CID 65428022
N-hexyl-4,6-dimethyl-1-benzofuran-2-carboxamide
CID 71662786
(4,6-dimethyl-1-benzofuran-2-yl)methanamine
CID 65439776
4,6-dimethyl-2-propyl-1-benzofuran
CID 146227493
1-(4,6-dimethyl-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 65439039
4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
CID 84673879
1-(4,6-dimethyl-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65439436
1-(4,5,7-trichloro-1-benzofuran-2-yl)propan-1-one
CID 65425945
methyl 4-chloro-6-methyl-1-benzofuran-2-carboxylate
CID 165469200
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
1-(2-fluoro-3,5-dimethylphenyl)propan-1-one
CID 83988890
N-[(4,6-dimethyl-1-benzofuran-2-yl)methyl]-2-methylpropan-1-amine
CID 65439958

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one?
The IUPAC name of 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one (CID 65426315) is 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one.
What is the SMILES notation for 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one?
The canonical SMILES for 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one is CCC(=O)c1cc2c(C)cc(C)cc2o1.
What is the InChIKey of 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one?
The InChIKey is KLGHWRRSIWOTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-4-11(14)13-7-10-9(3)5-8(2)6-12(10)15-13/h5-7H,4H2,1-3H3.
What are the key properties of 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one?
1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one has a molecular weight of 202.25 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-1-benzofuran-2-yl)propan-1-one is sourced from PubChem (CID 65426315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).