4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene

C18H18S — CID 91352133

IUPAC4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene
SMILESCc1cc(CCc2ccccc2)c(C)c2sccc12
InChIInChI=1S/C18H18S/c1-13-12-16(9-8-15-6-4-3-5-7-15)14(2)18-17(13)10-11-19-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyTXYFNBZGYKJGHU-UHFFFAOYSA-N
MW266.41 g/mol
LogP5.30
Rot. Bonds3

About 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene

4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene (PubChem CID 91352133) has the molecular formula C18H18S and a molecular weight of 266.41 g/mol. Its IUPAC name is 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene.

Molecular Properties

Compound Name4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene
PubChem CID91352133
Molecular FormulaC18H18S
Molecular Weight266.41 g/mol
Exact Mass266.11
IUPAC Name4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene
SMILESCc1cc(CCc2ccccc2)c(C)c2sccc12
InChIInChI=1S/C18H18S/c1-13-12-16(9-8-15-6-4-3-5-7-15)14(2)18-17(13)10-11-19-18/h3-7,10-12H,8-9H2,1-2H3
InChIKeyTXYFNBZGYKJGHU-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,6-bis(2-phenylethyl)thieno[3,2-g][1]benzothiole
CID 132507618
1,4-dibenzyl-2,5-dimethylbenzene
CID 22920047
1,2,4,5-tetramethyl-3-(2-phenylethyl)benzene
CID 590366
4-ethyl-14-(2-phenylethyl)-3,8-dithiapentacyclo[10.6.0.02,6.07,11.013,18]octadeca-1(18),2(6),4,7(11),9,12,14,16-octaene
CID 176887456
5-methyl-3-(2-phenylethyl)-4H-thieno[3,2-b]pyrrole
CID 70796407
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
2,6-dichloro-3-methyl-5-(2-phenylethyl)pyridine
CID 15154275
benzene;2-phenylethylbenzene
CID 18982764
8-methyl-4-propylthieno[2,3-f][1]benzothiole
CID 123432541
4-fluoro-2-methyl-1-(2-phenylethyl)benzene
CID 90778447
7-methyl-3-(2-phenylethyl)-1H-indole
CID 174735389
3-(2-phenylethyl)thiophene-2-carboxylic acid
CID 12703606

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene?
The IUPAC name of 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene (CID 91352133) is 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene.
What is the SMILES notation for 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene?
The canonical SMILES for 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene is Cc1cc(CCc2ccccc2)c(C)c2sccc12.
What is the InChIKey of 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene?
The InChIKey is TXYFNBZGYKJGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S/c1-13-12-16(9-8-15-6-4-3-5-7-15)14(2)18-17(13)10-11-19-18/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene?
4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene has a molecular weight of 266.41 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-6-(2-phenylethyl)-1-benzothiophene is sourced from PubChem (CID 91352133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).