methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate

C19H16O6S — CID 1480478

IUPACmethyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(COC(=O)c2ccc(OC)cc2)o1
InChIInChI=1S/C19H16O6S/c1-22-13-5-3-12(4-6-13)18(20)24-11-14-7-8-16(25-14)15-9-10-26-17(15)19(21)23-2/h3-10H,11H2,1-2H3
InChIKeyXVKBBLAGJSPFNJ-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.16
Rot. Bonds6

About methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate

methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate (PubChem CID 1480478) has the molecular formula C19H16O6S and a molecular weight of 372.40 g/mol. Its IUPAC name is methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate
PubChem CID1480478
Molecular FormulaC19H16O6S
Molecular Weight372.40 g/mol
Exact Mass372.07
IUPAC Namemethyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1-c1ccc(COC(=O)c2ccc(OC)cc2)o1
InChIInChI=1S/C19H16O6S/c1-22-13-5-3-12(4-6-13)18(20)24-11-14-7-8-16(25-14)15-9-10-26-17(15)19(21)23-2/h3-10H,11H2,1-2H3
InChIKeyXVKBBLAGJSPFNJ-UHFFFAOYSA-N
XLogP4.16
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate (CID 1480478) is methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate is COC(=O)c1sccc1-c1ccc(COC(=O)c2ccc(OC)cc2)o1.
What is the InChIKey of methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate?
The InChIKey is XVKBBLAGJSPFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O6S/c1-22-13-5-3-12(4-6-13)18(20)24-11-14-7-8-16(25-14)15-9-10-26-17(15)19(21)23-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate?
methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate has a molecular weight of 372.40 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-[(4-methoxybenzoyl)oxymethyl]furan-2-yl]thiophene-2-carboxylate is sourced from PubChem (CID 1480478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).