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

C23H18OS — CID 54166274

IUPAC5-(2-methoxyphenyl)-2,3-diphenylthiophene
SMILESCOc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18OS/c1-24-21-15-9-8-14-19(21)22-16-20(17-10-4-2-5-11-17)23(25-22)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyORVWAOCQBJLARG-UHFFFAOYSA-N
MW342.46 g/mol
LogP6.76
Rot. Bonds4

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

5-(2-methoxyphenyl)-2,3-diphenylthiophene (PubChem CID 54166274) has the molecular formula C23H18OS and a molecular weight of 342.46 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-2,3-diphenylthiophene.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-2,3-diphenylthiophene
PubChem CID54166274
Molecular FormulaC23H18OS
Molecular Weight342.46 g/mol
Exact Mass342.11
IUPAC Name5-(2-methoxyphenyl)-2,3-diphenylthiophene
SMILESCOc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1
InChIInChI=1S/C23H18OS/c1-24-21-15-9-8-14-19(21)22-16-20(17-10-4-2-5-11-17)23(25-22)18-12-6-3-7-13-18/h2-16H,1H3
InChIKeyORVWAOCQBJLARG-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

3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
2,5-bis(2-methoxy-6-propan-2-yloxyphenyl)-3-phenylthiophene
CID 71105084
2-(2-methoxyphenyl)-1-benzothiophene
CID 4137516
4-(2-methoxyphenyl)-2-phenylthiophene
CID 102031786
2-(2-methoxyphenyl)-4-methyl-5-phenyl-1,3-thiazole
CID 8965022
1-methoxy-2-[4-[4-(2-methoxyphenyl)phenyl]phenyl]benzene
CID 86116478
4-fluoro-1-methoxy-2-(2-phenylphenyl)benzene
CID 69117197
1-methoxy-2-phenylbenzene;2-methylthiophene
CID 174457563
1,2,4-trimethoxy-5-phenylbenzene
CID 18788699
[2-(2-methoxyphenyl)-5-phenyl-1,3-thiazol-4-yl]methanamine
CID 64717924
2-(3-methoxyphenyl)-5-(4-methoxy-3-phenylphenyl)thiophene
CID 44542351
5,6-bis(2-methoxyphenyl)tetrathiine
CID 101437216

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-2,3-diphenylthiophene?
The IUPAC name of 5-(2-methoxyphenyl)-2,3-diphenylthiophene (CID 54166274) is 5-(2-methoxyphenyl)-2,3-diphenylthiophene.
What is the SMILES notation for 5-(2-methoxyphenyl)-2,3-diphenylthiophene?
The canonical SMILES for 5-(2-methoxyphenyl)-2,3-diphenylthiophene is COc1ccccc1-c1cc(-c2ccccc2)c(-c2ccccc2)s1.
What is the InChIKey of 5-(2-methoxyphenyl)-2,3-diphenylthiophene?
The InChIKey is ORVWAOCQBJLARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18OS/c1-24-21-15-9-8-14-19(21)22-16-20(17-10-4-2-5-11-17)23(25-22)18-12-6-3-7-13-18/h2-16H,1H3.
What are the key properties of 5-(2-methoxyphenyl)-2,3-diphenylthiophene?
5-(2-methoxyphenyl)-2,3-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 5-(2-methoxyphenyl)-2,3-diphenylthiophene is sourced from PubChem (CID 54166274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).