5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene

C25H22O2S — CID 122221811

IUPAC5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene
SMILESCOc1cccc(Cc2cc(-c3cccc(OC)c3)sc2-c2ccccc2)c1
InChIInChI=1S/C25H22O2S/c1-26-22-12-6-8-18(15-22)14-21-17-24(20-11-7-13-23(16-20)27-2)28-25(21)19-9-4-3-5-10-19/h3-13,15-17H,14H2,1-2H3
InChIKeyNRHRKHZKUTWVRM-UHFFFAOYSA-N
MW386.52 g/mol
LogP6.69
Rot. Bonds6

About 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene

5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene (PubChem CID 122221811) has the molecular formula C25H22O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene
PubChem CID122221811
Molecular FormulaC25H22O2S
Molecular Weight386.52 g/mol
Exact Mass386.13
IUPAC Name5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene
SMILESCOc1cccc(Cc2cc(-c3cccc(OC)c3)sc2-c2ccccc2)c1
InChIInChI=1S/C25H22O2S/c1-26-22-12-6-8-18(15-22)14-21-17-24(20-11-7-13-23(16-20)27-2)28-25(21)19-9-4-3-5-10-19/h3-13,15-17H,14H2,1-2H3
InChIKeyNRHRKHZKUTWVRM-UHFFFAOYSA-N
XLogP6.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene?
The IUPAC name of 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene (CID 122221811) is 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene is COc1cccc(Cc2cc(-c3cccc(OC)c3)sc2-c2ccccc2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene?
The InChIKey is NRHRKHZKUTWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22O2S/c1-26-22-12-6-8-18(15-22)14-21-17-24(20-11-7-13-23(16-20)27-2)28-25(21)19-9-4-3-5-10-19/h3-13,15-17H,14H2,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene?
5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene has a molecular weight of 386.52 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]-2-phenylthiophene is sourced from PubChem (CID 122221811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).