ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate

C19H16O5S — CID 1287210

IUPACethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1OC
InChIInChI=1S/C19H16O5S/c1-3-23-19(21)17-16(13-9-5-7-11-15(13)25-17)24-18(20)12-8-4-6-10-14(12)22-2/h4-11H,3H2,1-2H3
InChIKeyJICBLKYXKRZHLP-UHFFFAOYSA-N
MW356.40 g/mol
LogP4.31
Rot. Bonds5

About ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate

ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate (PubChem CID 1287210) has the molecular formula C19H16O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate
PubChem CID1287210
Molecular FormulaC19H16O5S
Molecular Weight356.40 g/mol
Exact Mass356.07
IUPAC Nameethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate
SMILESCCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1OC
InChIInChI=1S/C19H16O5S/c1-3-23-19(21)17-16(13-9-5-7-11-15(13)25-17)24-18(20)12-8-4-6-10-14(12)22-2/h4-11H,3H2,1-2H3
InChIKeyJICBLKYXKRZHLP-UHFFFAOYSA-N
XLogP4.31
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate?
The IUPAC name of ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate (CID 1287210) is ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate?
The canonical SMILES for ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate is CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1OC.
What is the InChIKey of ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate?
The InChIKey is JICBLKYXKRZHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O5S/c1-3-23-19(21)17-16(13-9-5-7-11-15(13)25-17)24-18(20)12-8-4-6-10-14(12)22-2/h4-11H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate?
ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate has a molecular weight of 356.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-methoxybenzoyl)oxy-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 1287210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).