1-(2-benzyl-1-benzofuran-3-yl)ethanone

C17H14O2 — CID 13024727

IUPAC1-(2-benzyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(Cc2ccccc2)oc2ccccc12
InChIInChI=1S/C17H14O2/c1-12(18)17-14-9-5-6-10-15(14)19-16(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyROUMXZWOBYHRDP-UHFFFAOYSA-N
MW250.30 g/mol
LogP4.23
Rot. Bonds3

About 1-(2-benzyl-1-benzofuran-3-yl)ethanone

1-(2-benzyl-1-benzofuran-3-yl)ethanone (PubChem CID 13024727) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-benzyl-1-benzofuran-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-benzyl-1-benzofuran-3-yl)ethanone
PubChem CID13024727
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name1-(2-benzyl-1-benzofuran-3-yl)ethanone
SMILESCC(=O)c1c(Cc2ccccc2)oc2ccccc12
InChIInChI=1S/C17H14O2/c1-12(18)17-14-9-5-6-10-15(14)19-16(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyROUMXZWOBYHRDP-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetyl-4-benzylchromen-2-one
CID 100994271
1-(2-acetyl-1-benzofuran-3-yl)ethanone
CID 11637030
[2-[(4-chlorophenyl)methyl]-1-benzofuran-3-yl]-(4-hydroxyphenyl)methanone
CID 21435284
3-benzoyl-2-benzylfuro[3,2-c]chromen-4-one
CID 122379715
CID 172712410
CID 172712410
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
CID 160553428
2-benzyl-4-oxochromene-3-carbonitrile
CID 102579889
2-(propan-2-ylsulfonylmethyl)-1-benzofuran-3-carboxylic acid
CID 55054104
3-acetyl-4-phenylchromen-2-one
CID 56965161
2-[[2-methoxyethyl(methyl)amino]methyl]-1-benzofuran-3-carboxylic acid
CID 62273605
1-[2-[(4-ethoxyphenyl)methyl]-1-benzofuran-3-yl]-2-pyrrolidin-1-ylethanone;hydrochloride
CID 158957752
2-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylic acid
CID 62273770

Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-1-benzofuran-3-yl)ethanone?
The IUPAC name of 1-(2-benzyl-1-benzofuran-3-yl)ethanone (CID 13024727) is 1-(2-benzyl-1-benzofuran-3-yl)ethanone.
What is the SMILES notation for 1-(2-benzyl-1-benzofuran-3-yl)ethanone?
The canonical SMILES for 1-(2-benzyl-1-benzofuran-3-yl)ethanone is CC(=O)c1c(Cc2ccccc2)oc2ccccc12.
What is the InChIKey of 1-(2-benzyl-1-benzofuran-3-yl)ethanone?
The InChIKey is ROUMXZWOBYHRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O2/c1-12(18)17-14-9-5-6-10-15(14)19-16(17)11-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 1-(2-benzyl-1-benzofuran-3-yl)ethanone?
1-(2-benzyl-1-benzofuran-3-yl)ethanone has a molecular weight of 250.30 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-1-benzofuran-3-yl)ethanone is sourced from PubChem (CID 13024727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).