3-(4-bromophenyl)-6-methoxy-1-benzothiophene

C15H11BrOS — CID 15422641

IUPAC3-(4-bromophenyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(-c3ccc(Br)cc3)csc2c1
InChIInChI=1S/C15H11BrOS/c1-17-12-6-7-13-14(9-18-15(13)8-12)10-2-4-11(16)5-3-10/h2-9H,1H3
InChIKeyXQHVZCQNQQRWJL-UHFFFAOYSA-N
MW319.22 g/mol
LogP5.34
Rot. Bonds2

About 3-(4-bromophenyl)-6-methoxy-1-benzothiophene

3-(4-bromophenyl)-6-methoxy-1-benzothiophene (PubChem CID 15422641) has the molecular formula C15H11BrOS and a molecular weight of 319.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name3-(4-bromophenyl)-6-methoxy-1-benzothiophene
PubChem CID15422641
Molecular FormulaC15H11BrOS
Molecular Weight319.22 g/mol
Exact Mass317.97
IUPAC Name3-(4-bromophenyl)-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(-c3ccc(Br)cc3)csc2c1
InChIInChI=1S/C15H11BrOS/c1-17-12-6-7-13-14(9-18-15(13)8-12)10-2-4-11(16)5-3-10/h2-9H,1H3
InChIKeyXQHVZCQNQQRWJL-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.22
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[3-(4-bromophenyl)-1-benzothiophen-6-yl]oxy]-N,N-bis(2-methoxyethyl)butan-1-amine
CID 22314203
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
3-(4-bromophenoxy)-6-methoxy-2-(4-methoxyphenyl)-1-benzothiophene
CID 86730652
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
4-(4-bromophenyl)-7-(4-methoxyphenyl)-1,10-phenanthroline
CID 57357110
6-methoxy-3-(2-phenylethyl)-1-benzothiophene
CID 22458950
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
4-methoxy-3-(4-methoxyphenyl)-1-benzothiophene
CID 15422647
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
4-(6-methoxy-1-benzothiophen-3-yl)piperidine
CID 82374303
3-bromo-1-benzothiophene;1-bromo-4-(4-methoxyphenyl)benzene;ethane;4-[4-(2-ethyl-1-benzothiophen-3-yl)phenyl]phenol;3-[4-(4-methoxyphenyl)phenyl]-1-benzothiophene;[4-(4-methoxyphenyl)phenyl]boronic acid
CID 158857105
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-6-methoxy-1-benzothiophene?
The IUPAC name of 3-(4-bromophenyl)-6-methoxy-1-benzothiophene (CID 15422641) is 3-(4-bromophenyl)-6-methoxy-1-benzothiophene.
What is the SMILES notation for 3-(4-bromophenyl)-6-methoxy-1-benzothiophene?
The canonical SMILES for 3-(4-bromophenyl)-6-methoxy-1-benzothiophene is COc1ccc2c(-c3ccc(Br)cc3)csc2c1.
What is the InChIKey of 3-(4-bromophenyl)-6-methoxy-1-benzothiophene?
The InChIKey is XQHVZCQNQQRWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrOS/c1-17-12-6-7-13-14(9-18-15(13)8-12)10-2-4-11(16)5-3-10/h2-9H,1H3.
What are the key properties of 3-(4-bromophenyl)-6-methoxy-1-benzothiophene?
3-(4-bromophenyl)-6-methoxy-1-benzothiophene has a molecular weight of 319.22 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-6-methoxy-1-benzothiophene is sourced from PubChem (CID 15422641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).