methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate

C14H14O4S — CID 3701003

IUPACmethyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OCc1cccc(OC)c1
InChIInChI=1S/C14H14O4S/c1-16-11-5-3-4-10(8-11)9-18-12-6-7-19-13(12)14(15)17-2/h3-8H,9H2,1-2H3
InChIKeyCSIVWPNTSRRFPY-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.12
Rot. Bonds5

About methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate

methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate (PubChem CID 3701003) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate
PubChem CID3701003
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namemethyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1OCc1cccc(OC)c1
InChIInChI=1S/C14H14O4S/c1-16-11-5-3-4-10(8-11)9-18-12-6-7-19-13(12)14(15)17-2/h3-8H,9H2,1-2H3
InChIKeyCSIVWPNTSRRFPY-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate (CID 3701003) is methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate is COC(=O)c1sccc1OCc1cccc(OC)c1.
What is the InChIKey of methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate?
The InChIKey is CSIVWPNTSRRFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-16-11-5-3-4-10(8-11)9-18-12-6-7-19-13(12)14(15)17-2/h3-8H,9H2,1-2H3.
What are the key properties of methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate?
methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxyphenyl)methoxy]thiophene-2-carboxylate is sourced from PubChem (CID 3701003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).