1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone

C19H16OS — CID 63400476

IUPAC1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cc2ccccc2)s1
InChIInChI=1S/C19H16OS/c1-14(20)18-11-12-19(21-18)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyFEJJVXBSAHLJFD-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.21
Rot. Bonds4

About 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone

1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone (PubChem CID 63400476) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone
PubChem CID63400476
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2ccccc2Cc2ccccc2)s1
InChIInChI=1S/C19H16OS/c1-14(20)18-11-12-19(21-18)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3
InChIKeyFEJJVXBSAHLJFD-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-[2-(morpholin-4-ylmethyl)phenyl]thiophen-2-yl]ethanone
CID 155687565
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
1-benzyl-2-(2-ethylphenyl)benzene
CID 20510866
[2-(2-benzylanilino)-2-oxoethyl] 5-acetylthiophene-2-carboxylate
CID 18123150
methyl 2-[2-(5-acetylthiophen-2-yl)phenyl]-2-methylpropanoate
CID 135337035
1-benzyl-2-(2-prop-2-enylphenyl)benzene
CID 173274137
acetic acid;2-benzylaniline
CID 174872932
1-[5-[2-[(dimethylamino)methyl]-4-methoxyphenyl]thiophen-2-yl]ethanone
CID 135337033
1-[5-[3-(methoxymethyl)phenyl]thiophen-2-yl]ethanone
CID 54965439
CID 10982063
CID 10982063
1-[5-[5-(4-methyl-3-pyridinyl)thiophen-2-yl]thiophen-2-yl]ethanone
CID 86217197
1-[5-(2,5-dichlorophenyl)thiophen-2-yl]ethanone
CID 43363436

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone (CID 63400476) is 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2ccccc2Cc2ccccc2)s1.
What is the InChIKey of 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone?
The InChIKey is FEJJVXBSAHLJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c1-14(20)18-11-12-19(21-18)17-10-6-5-9-16(17)13-15-7-3-2-4-8-15/h2-12H,13H2,1H3.
What are the key properties of 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone?
1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone has a molecular weight of 292.40 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-benzylphenyl)thiophen-2-yl]ethanone is sourced from PubChem (CID 63400476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).