2,5-bis(3-methoxyphenyl)-3-methylthiophene

C19H18O2S — CID 123497172

IUPAC2,5-bis(3-methoxyphenyl)-3-methylthiophene
SMILESCOc1cccc(-c2cc(C)c(-c3cccc(OC)c3)s2)c1
InChIInChI=1S/C19H18O2S/c1-13-10-18(14-6-4-8-16(11-14)20-2)22-19(13)15-7-5-9-17(12-15)21-3/h4-12H,1-3H3
InChIKeyWZJMFKZDBZQZJZ-UHFFFAOYSA-N
MW310.42 g/mol
LogP5.41
Rot. Bonds4

About 2,5-bis(3-methoxyphenyl)-3-methylthiophene

2,5-bis(3-methoxyphenyl)-3-methylthiophene (PubChem CID 123497172) has the molecular formula C19H18O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2,5-bis(3-methoxyphenyl)-3-methylthiophene.

Molecular Properties

Compound Name2,5-bis(3-methoxyphenyl)-3-methylthiophene
PubChem CID123497172
Molecular FormulaC19H18O2S
Molecular Weight310.42 g/mol
Exact Mass310.10
IUPAC Name2,5-bis(3-methoxyphenyl)-3-methylthiophene
SMILESCOc1cccc(-c2cc(C)c(-c3cccc(OC)c3)s2)c1
InChIInChI=1S/C19H18O2S/c1-13-10-18(14-6-4-8-16(11-14)20-2)22-19(13)15-7-5-9-17(12-15)21-3/h4-12H,1-3H3
InChIKeyWZJMFKZDBZQZJZ-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-2,5-diphenylthiophene
CID 86108193
2-ethynyl-5-(3-methoxyphenyl)thiophene
CID 146676306
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
5-(3-methoxyphenyl)thiophene-2-carbonitrile
CID 82078599
4-(3-methoxyphenyl)-1,3-dithiole-2-thione
CID 134954448
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
2-chloro-5-(3-methoxyphenyl)-1,3-thiazole
CID 117259772
ethane;1-methoxy-3-(3-methylphenyl)benzene
CID 142945497
4-(bromomethyl)-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole
CID 67979674
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852
4-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)thiophene
CID 44543110

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methoxyphenyl)-3-methylthiophene?
The IUPAC name of 2,5-bis(3-methoxyphenyl)-3-methylthiophene (CID 123497172) is 2,5-bis(3-methoxyphenyl)-3-methylthiophene.
What is the SMILES notation for 2,5-bis(3-methoxyphenyl)-3-methylthiophene?
The canonical SMILES for 2,5-bis(3-methoxyphenyl)-3-methylthiophene is COc1cccc(-c2cc(C)c(-c3cccc(OC)c3)s2)c1.
What is the InChIKey of 2,5-bis(3-methoxyphenyl)-3-methylthiophene?
The InChIKey is WZJMFKZDBZQZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2S/c1-13-10-18(14-6-4-8-16(11-14)20-2)22-19(13)15-7-5-9-17(12-15)21-3/h4-12H,1-3H3.
What are the key properties of 2,5-bis(3-methoxyphenyl)-3-methylthiophene?
2,5-bis(3-methoxyphenyl)-3-methylthiophene has a molecular weight of 310.42 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methoxyphenyl)-3-methylthiophene is sourced from PubChem (CID 123497172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).