2-phenylthiophene-3-carboxylate

C11H7O2S- — CID 6949770

IUPAC2-phenylthiophene-3-carboxylate
SMILESO=C([O-])c1ccsc1-c1ccccc1
InChIInChI=1S/C11H8O2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1
InChIKeyPQNWWRHSZQZRTB-UHFFFAOYSA-M
MW203.24 g/mol
LogP1.78
Rot. Bonds2

About 2-phenylthiophene-3-carboxylate

2-phenylthiophene-3-carboxylate (PubChem CID 6949770) has the molecular formula C11H7O2S- and a molecular weight of 203.24 g/mol. Its IUPAC name is 2-phenylthiophene-3-carboxylate.

Molecular Properties

Compound Name2-phenylthiophene-3-carboxylate
PubChem CID6949770
Molecular FormulaC11H7O2S-
Molecular Weight203.24 g/mol
Exact Mass203.02
IUPAC Name2-phenylthiophene-3-carboxylate
SMILESO=C([O-])c1ccsc1-c1ccccc1
InChIInChI=1S/C11H8O2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1
InChIKeyPQNWWRHSZQZRTB-UHFFFAOYSA-M
XLogP1.78
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenylthiophene-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

thiophene-2,3-dicarboxylate
CID 7349646
naphthalen-2-yl-(2-phenylthiophen-3-yl)methanone
CID 132563110
3-benzoylthiophene-2-carboxylate
CID 6995645
bis(1,1'-biphenyl);carbonate
CID 23514328
disodium;4,5-diphenylphthalate
CID 134868371
4-hydroxy-5-phenylthiophene-3-carboxylic acid
CID 154133340
4-phenylthiophene-3-carboxylate
CID 6974416
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
2-formylthiophene-3-carboxylate
CID 40659665
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
pentakis(lead(2+));phthalate
CID 173427098

Frequently Asked Questions

What is the IUPAC name of 2-phenylthiophene-3-carboxylate?
The IUPAC name of 2-phenylthiophene-3-carboxylate (CID 6949770) is 2-phenylthiophene-3-carboxylate.
What is the SMILES notation for 2-phenylthiophene-3-carboxylate?
The canonical SMILES for 2-phenylthiophene-3-carboxylate is O=C([O-])c1ccsc1-c1ccccc1.
What is the InChIKey of 2-phenylthiophene-3-carboxylate?
The InChIKey is PQNWWRHSZQZRTB-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H8O2S/c12-11(13)9-6-7-14-10(9)8-4-2-1-3-5-8/h1-7H,(H,12,13)/p-1.
What are the key properties of 2-phenylthiophene-3-carboxylate?
2-phenylthiophene-3-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylthiophene-3-carboxylate is sourced from PubChem (CID 6949770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).