2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene

C19H20S2 — CID 90682393

IUPAC2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene
SMILESCc1ccc(C(CCc2ccccc2)c2ccc(C)s2)s1
InChIInChI=1S/C19H20S2/c1-14-8-12-18(20-14)17(19-13-9-15(2)21-19)11-10-16-6-4-3-5-7-16/h3-9,12-13,17H,10-11H2,1-2H3
InChIKeyAPYBTCJPOLWPLF-UHFFFAOYSA-N
MW312.50 g/mol
LogP6.19
Rot. Bonds5

About 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene

2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene (PubChem CID 90682393) has the molecular formula C19H20S2 and a molecular weight of 312.50 g/mol. Its IUPAC name is 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene
PubChem CID90682393
Molecular FormulaC19H20S2
Molecular Weight312.50 g/mol
Exact Mass312.10
IUPAC Name2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene
SMILESCc1ccc(C(CCc2ccccc2)c2ccc(C)s2)s1
InChIInChI=1S/C19H20S2/c1-14-8-12-18(20-14)17(19-13-9-15(2)21-19)11-10-16-6-4-3-5-7-16/h3-9,12-13,17H,10-11H2,1-2H3
InChIKeyAPYBTCJPOLWPLF-UHFFFAOYSA-N
XLogP6.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene?
The IUPAC name of 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene (CID 90682393) is 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene.
What is the SMILES notation for 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene?
The canonical SMILES for 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene is Cc1ccc(C(CCc2ccccc2)c2ccc(C)s2)s1.
What is the InChIKey of 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene?
The InChIKey is APYBTCJPOLWPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20S2/c1-14-8-12-18(20-14)17(19-13-9-15(2)21-19)11-10-16-6-4-3-5-7-16/h3-9,12-13,17H,10-11H2,1-2H3.
What are the key properties of 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene?
2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene has a molecular weight of 312.50 g/mol, XLogP of 6.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(5-methylthiophen-2-yl)-3-phenylpropyl]thiophene is sourced from PubChem (CID 90682393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).