3-(3-methoxyphenyl)-2,5-diphenylthiophene

C23H18OS — CID 86108193

IUPAC3-(3-methoxyphenyl)-2,5-diphenylthiophene
SMILESCOc1cccc(-c2cc(-c3ccccc3)sc2-c2ccccc2)c1
InChIInChI=1S/C23H18OS/c1-24-20-14-8-13-19(15-20)21-16-22(17-9-4-2-5-10-17)25-23(21)18-11-6-3-7-12-18/h2-16H,1H3
InChIKeyQQTFGIMXHVWFJU-UHFFFAOYSA-N
MW342.46 g/mol
LogP6.76
Rot. Bonds4

About 3-(3-methoxyphenyl)-2,5-diphenylthiophene

3-(3-methoxyphenyl)-2,5-diphenylthiophene (PubChem CID 86108193) has the molecular formula C23H18OS and a molecular weight of 342.46 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2,5-diphenylthiophene.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2,5-diphenylthiophene
PubChem CID86108193
Molecular FormulaC23H18OS
Molecular Weight342.46 g/mol
Exact Mass342.11
IUPAC Name3-(3-methoxyphenyl)-2,5-diphenylthiophene
SMILESCOc1cccc(-c2cc(-c3ccccc3)sc2-c2ccccc2)c1
InChIInChI=1S/C23H18OS/c1-24-20-14-8-13-19(15-20)21-16-22(17-9-4-2-5-10-17)25-23(21)18-11-6-3-7-12-18/h2-16H,1H3
InChIKeyQQTFGIMXHVWFJU-UHFFFAOYSA-N
XLogP6.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.46
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-bis(3-methoxyphenyl)-3-methylthiophene
CID 123497172
5-(2-methoxyphenyl)-2,3-diphenylthiophene
CID 54166274
2-chloro-5-(3-methoxyphenyl)-4-phenyl-1,3-thiazole
CID 54307577
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351
1,2-dimethoxy-3-(3-methoxyphenyl)benzene
CID 57121160
2-[2-(3-methoxyphenyl)phenyl]phenol
CID 135057832
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
2,3,5,6-tetrakis(3-methoxyphenyl)pyrazine
CID 132941107
2-(3-methoxyphenyl)-4-phenyl-1,3-thiazol-5-amine
CID 71085692
(2,5-diphenylthiophen-3-yl)oxy-trimethylsilane
CID 11045581

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2,5-diphenylthiophene?
The IUPAC name of 3-(3-methoxyphenyl)-2,5-diphenylthiophene (CID 86108193) is 3-(3-methoxyphenyl)-2,5-diphenylthiophene.
What is the SMILES notation for 3-(3-methoxyphenyl)-2,5-diphenylthiophene?
The canonical SMILES for 3-(3-methoxyphenyl)-2,5-diphenylthiophene is COc1cccc(-c2cc(-c3ccccc3)sc2-c2ccccc2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2,5-diphenylthiophene?
The InChIKey is QQTFGIMXHVWFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18OS/c1-24-20-14-8-13-19(15-20)21-16-22(17-9-4-2-5-10-17)25-23(21)18-11-6-3-7-12-18/h2-16H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-2,5-diphenylthiophene?
3-(3-methoxyphenyl)-2,5-diphenylthiophene has a molecular weight of 342.46 g/mol, XLogP of 6.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2,5-diphenylthiophene is sourced from PubChem (CID 86108193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).