(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate

C15H14O4S — CID 78762185

IUPAC(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cccc(COC(=O)c2sccc2C)c1
InChIInChI=1S/C15H14O4S/c1-10-6-7-20-13(10)15(17)19-9-11-4-3-5-12(8-11)14(16)18-2/h3-8H,9H2,1-2H3
InChIKeyPZWSVNNWOFNWMZ-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.20
Rot. Bonds4

About (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate

(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate (PubChem CID 78762185) has the molecular formula C15H14O4S and a molecular weight of 290.34 g/mol. Its IUPAC name is (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
PubChem CID78762185
Molecular FormulaC15H14O4S
Molecular Weight290.34 g/mol
Exact Mass290.06
IUPAC Name(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate
SMILESCOC(=O)c1cccc(COC(=O)c2sccc2C)c1
InChIInChI=1S/C15H14O4S/c1-10-6-7-20-13(10)15(17)19-9-11-4-3-5-12(8-11)14(16)18-2/h3-8H,9H2,1-2H3
InChIKeyPZWSVNNWOFNWMZ-UHFFFAOYSA-N
XLogP3.20
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(4-methylbenzoyl)oxymethyl]benzoate
CID 78759931
(3-methoxycarbonylphenyl)methyl 2,4-dichlorobenzoate
CID 2953632
(3-methoxycarbonylphenyl)methyl 4-methyl-3-nitrobenzoate
CID 957055
(3-methoxycarbonylphenyl)methyl 3-methyl-4-nitrobenzoate
CID 957248
methyl 3-[[2-(thiophene-2-carbonylamino)acetyl]oxymethyl]benzoate
CID 957235
methyl 3-(3-phenylpropanoyloxymethyl)benzoate
CID 78759984
methyl 3-[(4-hydroxy-N,2-dimethylanilino)methyl]benzoate
CID 66704186
methyl 3-(2-aminoethyl)benzoate
CID 10511548
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
(3-methoxycarbonylphenyl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 9319547
[2-(benzylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 3266695

Frequently Asked Questions

What is the IUPAC name of (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate?
The IUPAC name of (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate (CID 78762185) is (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate is COC(=O)c1cccc(COC(=O)c2sccc2C)c1.
What is the InChIKey of (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate?
The InChIKey is PZWSVNNWOFNWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4S/c1-10-6-7-20-13(10)15(17)19-9-11-4-3-5-12(8-11)14(16)18-2/h3-8H,9H2,1-2H3.
What are the key properties of (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate?
(3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate has a molecular weight of 290.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxycarbonylphenyl)methyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 78762185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).