methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate

C14H14O3S — CID 71761765

IUPACmethyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C14H14O3S/c1-16-12-5-3-10(4-6-12)7-13-8-11(9-18-13)14(15)17-2/h3-6,8-9H,7H2,1-2H3
InChIKeyOTUYGXWSPDEOLP-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.13
Rot. Bonds4

About methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate

methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate (PubChem CID 71761765) has the molecular formula C14H14O3S and a molecular weight of 262.33 g/mol. Its IUPAC name is methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
PubChem CID71761765
Molecular FormulaC14H14O3S
Molecular Weight262.33 g/mol
Exact Mass262.07
IUPAC Namemethyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
SMILESCOC(=O)c1csc(Cc2ccc(OC)cc2)c1
InChIInChI=1S/C14H14O3S/c1-16-12-5-3-10(4-6-12)7-13-8-11(9-18-13)14(15)17-2/h3-6,8-9H,7H2,1-2H3
InChIKeyOTUYGXWSPDEOLP-UHFFFAOYSA-N
XLogP3.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[(4-methoxyphenyl)methyl]furan-2-yl]ethanone
CID 141104221
methyl 5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 112618989
methyl 4-[(5-amino-4-methylthiophen-2-yl)methyl]benzoate
CID 58930448
3-(4-methoxyphenyl)-1-(5-methylthiophen-3-yl)propan-1-one
CID 114975974
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 5-[2-(4-methoxyphenyl)ethyl]-2-(methylamino)thiophene-3-carboxylate
CID 72704418
ethyl 2-amino-5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate
CID 22257964
methyl 3-chloro-2-[(4-methoxyphenyl)methyl]benzoate
CID 134964677
methyl 4-[(4-methoxyanilino)methyl]benzoate;hydrochloride
CID 141308228
formic acid;methyl 4-methoxybenzoate
CID 159779883
anisole;methyl 4-methoxybenzoate
CID 158093995
methyl 4-[2-[6-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-yl]ethyl]benzoate
CID 170457379

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The IUPAC name of methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate (CID 71761765) is methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The canonical SMILES for methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate is COC(=O)c1csc(Cc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
The InChIKey is OTUYGXWSPDEOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3S/c1-16-12-5-3-10(4-6-12)7-13-8-11(9-18-13)14(15)17-2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate?
methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate has a molecular weight of 262.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-methoxyphenyl)methyl]thiophene-3-carboxylate is sourced from PubChem (CID 71761765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).