methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate

C11H9ClO3S — CID 2801561

IUPACmethyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccc(OC)cc2c1Cl
InChIInChI=1S/C11H9ClO3S/c1-14-6-3-4-8-7(5-6)9(12)10(16-8)11(13)15-2/h3-5H,1-2H3
InChIKeyWWDSBGDUDDPVRU-UHFFFAOYSA-N
MW256.71 g/mol
LogP3.35
Rot. Bonds2

About methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate

methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate (PubChem CID 2801561) has the molecular formula C11H9ClO3S and a molecular weight of 256.71 g/mol. Its IUPAC name is methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
PubChem CID2801561
Molecular FormulaC11H9ClO3S
Molecular Weight256.71 g/mol
Exact Mass256.00
IUPAC Namemethyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
SMILESCOC(=O)c1sc2ccc(OC)cc2c1Cl
InChIInChI=1S/C11H9ClO3S/c1-14-6-3-4-8-7(5-6)9(12)10(16-8)11(13)15-2/h3-5H,1-2H3
InChIKeyWWDSBGDUDDPVRU-UHFFFAOYSA-N
XLogP3.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-chloro-5-methoxy-1-benzothiophene-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

Related Compounds

(4-chlorophenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225778
phenyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225760
[4-(4-methylphenyl)phenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225791
methyl 5-methoxy-3-[(2-methylpropan-2-yl)oxy]-1-benzothiophene-2-carboxylate
CID 15131063
(4-chloro-2-methylphenyl) 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225783
methyl 3-[(3-chloro-5-methoxy-1-benzothiophene-2-carbonyl)amino]benzoate
CID 19225608
[4-[(4-methoxyphenyl)carbamoyl]phenyl] 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate
CID 19225805
3-chloro-5-methoxy-N-prop-2-enyl-1-benzothiophene-2-carboxamide
CID 19225566
3-chloro-5-methoxy-N-pentyl-1-benzothiophene-2-carboxamide
CID 19225565
3-chloro-5-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzothiophene-2-carboxamide
CID 19225659
N-(4-carbamoylphenyl)-3-chloro-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225620
3-chloro-N-(5-chloro-2-methoxyphenyl)-5-methoxy-1-benzothiophene-2-carboxamide
CID 19225752

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The IUPAC name of methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate (CID 2801561) is methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate.
What is the SMILES notation for methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The canonical SMILES for methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate is COC(=O)c1sc2ccc(OC)cc2c1Cl.
What is the InChIKey of methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
The InChIKey is WWDSBGDUDDPVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3S/c1-14-6-3-4-8-7(5-6)9(12)10(16-8)11(13)15-2/h3-5H,1-2H3.
What are the key properties of methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate?
methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate has a molecular weight of 256.71 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-methoxy-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 2801561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).