1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone

C13H14O2 — CID 43155112

IUPAC1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCc1ccc2oc(C(C)=O)c(C)c2c1
InChIInChI=1S/C13H14O2/c1-4-10-5-6-12-11(7-10)8(2)13(15-12)9(3)14/h5-7H,4H2,1-3H3
InChIKeyPOLGHCAQUJWQIC-UHFFFAOYSA-N
MW202.25 g/mol
LogP3.51
Rot. Bonds2

About 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone

1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone (PubChem CID 43155112) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
PubChem CID43155112
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone
SMILESCCc1ccc2oc(C(C)=O)c(C)c2c1
InChIInChI=1S/C13H14O2/c1-4-10-5-6-12-11(7-10)8(2)13(15-12)9(3)14/h5-7H,4H2,1-3H3
InChIKeyPOLGHCAQUJWQIC-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 19241054
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
5-ethyl-3-methyl-N-(2-methylpropyl)-1-benzofuran-2-carboxamide
CID 19241055
(4-fluorophenyl) 5-ethyl-3-methyl-1-benzofuran-2-carboxylate
CID 2964614
1-(5-butan-2-yl-3-methyl-1-benzofuran-2-yl)ethanone
CID 107667352
5-ethyl-N-(2-ethylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 19241076
N-(cyclobutylmethyl)-5-ethyl-3-methyl-1-benzofuran-2-carboxamide
CID 95756517
5-ethyl-N-(3-iodophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 1248180
2-[2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 102534728
ethyl 2-[(5-ethyl-3-methyl-1-benzofuran-2-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 19241145
5-ethyl-3-methyl-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19241097

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone?
The IUPAC name of 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone (CID 43155112) is 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone is CCc1ccc2oc(C(C)=O)c(C)c2c1.
What is the InChIKey of 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone?
The InChIKey is POLGHCAQUJWQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-4-10-5-6-12-11(7-10)8(2)13(15-12)9(3)14/h5-7H,4H2,1-3H3.
What are the key properties of 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone?
1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone has a molecular weight of 202.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1-benzofuran-2-yl)ethanone is sourced from PubChem (CID 43155112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).