3-(2-bromophenyl)-2-methyl-1-benzothiophene

C15H11BrS — CID 147947842

IUPAC3-(2-bromophenyl)-2-methyl-1-benzothiophene
SMILESCc1sc2ccccc2c1-c1ccccc1Br
InChIInChI=1S/C15H11BrS/c1-10-15(11-6-2-4-8-13(11)16)12-7-3-5-9-14(12)17-10/h2-9H,1H3
InChIKeyINAGVRCXDPHGMN-UHFFFAOYSA-N
MW303.22 g/mol
LogP5.64
Rot. Bonds1

About 3-(2-bromophenyl)-2-methyl-1-benzothiophene

3-(2-bromophenyl)-2-methyl-1-benzothiophene (PubChem CID 147947842) has the molecular formula C15H11BrS and a molecular weight of 303.22 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2-methyl-1-benzothiophene.

Molecular Properties

Compound Name3-(2-bromophenyl)-2-methyl-1-benzothiophene
PubChem CID147947842
Molecular FormulaC15H11BrS
Molecular Weight303.22 g/mol
Exact Mass301.98
IUPAC Name3-(2-bromophenyl)-2-methyl-1-benzothiophene
SMILESCc1sc2ccccc2c1-c1ccccc1Br
InChIInChI=1S/C15H11BrS/c1-10-15(11-6-2-4-8-13(11)16)12-7-3-5-9-14(12)17-10/h2-9H,1H3
InChIKeyINAGVRCXDPHGMN-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.22
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-(1-benzothiophen-3-yl)-5-bromothiophen-3-yl]-2-methyl-1-benzothiophene
CID 70867533
3-bromo-2-(2-bromophenyl)-1-benzothiophene
CID 102054316
2-methyl-3-[2-(2-methyl-1-benzothiophen-3-yl)cyclohexen-1-yl]-1-benzothiophene
CID 11143270
2,3-dimethyl-5,6-bis(2-methyl-1-benzothiophen-3-yl)cyclohexa-2,5-diene-1,4-dione
CID 11144430
2-methyl-3-[2-[(4-methylphenoxy)methyl]phenyl]-1-benzothiophene
CID 143129119
3-bromo-2-methylthiochromen-4-one
CID 119090270
6-ethyl-5-(2-methyl-1-benzothiophen-3-yl)pyridin-2-amine
CID 155778424
3-(2-bromophenyl)-1-benzothiophene
CID 134529579
2-[3-methyl-2-(2-methyl-1-benzothiophen-3-yl)-1-benzothiophen-7-yl]-4,6-diphenyl-1,3,5-triazine
CID 146610262
3-[2-(1-benzothiophen-3-yl)-5-ethynylthiophen-3-yl]-2-methyl-1-benzothiophene
CID 89064054
4-(2-bromophenyl)-2-chloro-[1]benzothiolo[3,2-d]pyrimidine
CID 122490049
5-bromo-2,3-bis(2-methyl-1-benzothiophen-3-yl)cyclopent-2-en-1-one
CID 71484784

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2-methyl-1-benzothiophene?
The IUPAC name of 3-(2-bromophenyl)-2-methyl-1-benzothiophene (CID 147947842) is 3-(2-bromophenyl)-2-methyl-1-benzothiophene.
What is the SMILES notation for 3-(2-bromophenyl)-2-methyl-1-benzothiophene?
The canonical SMILES for 3-(2-bromophenyl)-2-methyl-1-benzothiophene is Cc1sc2ccccc2c1-c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2-methyl-1-benzothiophene?
The InChIKey is INAGVRCXDPHGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrS/c1-10-15(11-6-2-4-8-13(11)16)12-7-3-5-9-14(12)17-10/h2-9H,1H3.
What are the key properties of 3-(2-bromophenyl)-2-methyl-1-benzothiophene?
3-(2-bromophenyl)-2-methyl-1-benzothiophene has a molecular weight of 303.22 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2-methyl-1-benzothiophene is sourced from PubChem (CID 147947842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).