methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate

C20H18O4S — CID 2741001

IUPACmethyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H18O4S/c1-22-15-8-4-13(5-9-15)17-12-18(20(21)24-3)25-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3
InChIKeyBTXWCRCKZYCRKL-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.89
Rot. Bonds5

About methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate

methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate (PubChem CID 2741001) has the molecular formula C20H18O4S and a molecular weight of 354.43 g/mol. Its IUPAC name is methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate
PubChem CID2741001
Molecular FormulaC20H18O4S
Molecular Weight354.43 g/mol
Exact Mass354.09
IUPAC Namemethyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1
InChIInChI=1S/C20H18O4S/c1-22-15-8-4-13(5-9-15)17-12-18(20(21)24-3)25-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3
InChIKeyBTXWCRCKZYCRKL-UHFFFAOYSA-N
XLogP4.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate (CID 2741001) is methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1.
What is the InChIKey of methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate?
The InChIKey is BTXWCRCKZYCRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O4S/c1-22-15-8-4-13(5-9-15)17-12-18(20(21)24-3)25-19(17)14-6-10-16(23-2)11-7-14/h4-12H,1-3H3.
What are the key properties of methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate?
methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate has a molecular weight of 354.43 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 2741001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).