3-(3-methylphenyl)-1-benzothiophene

C15H12S — CID 3358916

IUPAC3-(3-methylphenyl)-1-benzothiophene
SMILESCc1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C15H12S/c1-11-5-4-6-12(9-11)14-10-16-15-8-3-2-7-13(14)15/h2-10H,1H3
InChIKeyGTBUGNUDCUEVRG-UHFFFAOYSA-N
MW224.33 g/mol
LogP4.88
Rot. Bonds1

About 3-(3-methylphenyl)-1-benzothiophene

3-(3-methylphenyl)-1-benzothiophene (PubChem CID 3358916) has the molecular formula C15H12S and a molecular weight of 224.33 g/mol. Its IUPAC name is 3-(3-methylphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(3-methylphenyl)-1-benzothiophene
PubChem CID3358916
Molecular FormulaC15H12S
Molecular Weight224.33 g/mol
Exact Mass224.07
IUPAC Name3-(3-methylphenyl)-1-benzothiophene
SMILESCc1cccc(-c2csc3ccccc23)c1
InChIInChI=1S/C15H12S/c1-11-5-4-6-12(9-11)14-10-16-15-8-3-2-7-13(14)15/h2-10H,1H3
InChIKeyGTBUGNUDCUEVRG-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzothiophene
CID 3023
Benzo(B)Thiophene
CID 7221
Benzo(b)naphtho(2,1-d)thiophene
CID 9198
5-Methylbenzo[b]thiophene-2-boronic acid
CID 2794641
4,6-Dimethyldibenzothiophene
CID 71012
3-Phenylthiophene
CID 75473
2-Methylbenzo(b)thiophene
CID 70952
3-Methylbenzo[b]thiophene
CID 73817
5-Methylbenzo(b)thiophene
CID 84346
2-(2-Naphthyl)-1-thiaindene
CID 253238
1,3-Diphenylisobenzothiophene
CID 282476
Phenanthro(3,4-b)thiophene
CID 160441

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-1-benzothiophene?
The IUPAC name of 3-(3-methylphenyl)-1-benzothiophene (CID 3358916) is 3-(3-methylphenyl)-1-benzothiophene.
What is the SMILES notation for 3-(3-methylphenyl)-1-benzothiophene?
The canonical SMILES for 3-(3-methylphenyl)-1-benzothiophene is Cc1cccc(-c2csc3ccccc23)c1.
What is the InChIKey of 3-(3-methylphenyl)-1-benzothiophene?
The InChIKey is GTBUGNUDCUEVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12S/c1-11-5-4-6-12(9-11)14-10-16-15-8-3-2-7-13(14)15/h2-10H,1H3.
What are the key properties of 3-(3-methylphenyl)-1-benzothiophene?
3-(3-methylphenyl)-1-benzothiophene has a molecular weight of 224.33 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-1-benzothiophene is sourced from PubChem (CID 3358916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).