[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate

C21H20O4S — CID 22376713

IUPAC[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate
SMILESCCC(=O)Oc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C21H20O4S/c1-4-19(22)25-20-13-18(14-5-9-16(23-2)10-6-14)21(26-20)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3
InChIKeyOCYSWLAHEFIWRB-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.41
Rot. Bonds6

About [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate

[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate (PubChem CID 22376713) has the molecular formula C21H20O4S and a molecular weight of 368.45 g/mol. Its IUPAC name is [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate.

Molecular Properties

Compound Name[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate
PubChem CID22376713
Molecular FormulaC21H20O4S
Molecular Weight368.45 g/mol
Exact Mass368.11
IUPAC Name[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate
SMILESCCC(=O)Oc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C21H20O4S/c1-4-19(22)25-20-13-18(14-5-9-16(23-2)10-6-14)21(26-20)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3
InChIKeyOCYSWLAHEFIWRB-UHFFFAOYSA-N
XLogP5.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate?
The IUPAC name of [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate (CID 22376713) is [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate.
What is the SMILES notation for [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate?
The canonical SMILES for [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate is CCC(=O)Oc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate?
The InChIKey is OCYSWLAHEFIWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O4S/c1-4-19(22)25-20-13-18(14-5-9-16(23-2)10-6-14)21(26-20)15-7-11-17(24-3)12-8-15/h5-13H,4H2,1-3H3.
What are the key properties of [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate?
[4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate has a molecular weight of 368.45 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(4-methoxyphenyl)thiophen-2-yl] propanoate is sourced from PubChem (CID 22376713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).