methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate

C18H13ClO3S — CID 67299283

IUPACmethyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)c(-c2ccccc2Cl)s1
InChIInChI=1S/C18H13ClO3S/c1-22-18(21)16-10-14(11-6-8-12(20)9-7-11)17(23-16)13-4-2-3-5-15(13)19/h2-10,20H,1H3
InChIKeyUAWMSDCWPPIOQU-UHFFFAOYSA-N
MW344.82 g/mol
LogP5.23
Rot. Bonds3

About methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate

methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate (PubChem CID 67299283) has the molecular formula C18H13ClO3S and a molecular weight of 344.82 g/mol. Its IUPAC name is methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate
PubChem CID67299283
Molecular FormulaC18H13ClO3S
Molecular Weight344.82 g/mol
Exact Mass344.03
IUPAC Namemethyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(O)cc2)c(-c2ccccc2Cl)s1
InChIInChI=1S/C18H13ClO3S/c1-22-18(21)16-10-14(11-6-8-12(20)9-7-11)17(23-16)13-4-2-3-5-15(13)19/h2-10,20H,1H3
InChIKeyUAWMSDCWPPIOQU-UHFFFAOYSA-N
XLogP5.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.82
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)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

Related Compounds

[5-(3-Chloro-4-hydroxyphenyl)-2-thienyl](3-hydroxyphenyl)-methanone
CID 49840196
4-(4-Methoxyphenyl)-5-methylthiophene-2-carboxylic acid
CID 3865966
[5-(2,4-Dichlorobenzoyl)-2-(4-methoxyphenyl)thien-3-yl]acetic acid
CID 5098091
4-(4-Methoxyphenyl)thiophene-2-carboxylic acid
CID 2736770
Methyl 4,5-bis(4-methoxyphenyl)thiophene-2-carboxylate
CID 2741001
5-(5-Chloro-2-methoxyphenyl)thiophene-2-carboxylic acid
CID 16060153
US12466803, Example 150
CID 168780876
3-(6-Chloro-2,4-difluoro-3-methoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxylic acid
CID 168780896
3,4-Bis(4-hydroxyphenyl)thiophene-2,5-dicarboxylic acid
CID 101478362
4,5-bis(4-methoxyphenyl)thiophene-2-carboxylic Acid
CID 11393645
3,4-Bis(4-methoxyphenyl)thiophene-2,5-dicarboxylic acid
CID 12294921
5-(4-Fluorophenyl)-4-(4-methoxyphenyl)thiophene-2-carboxylic acid
CID 23372825

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate (CID 67299283) is methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate is COC(=O)c1cc(-c2ccc(O)cc2)c(-c2ccccc2Cl)s1.
What is the InChIKey of methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate?
The InChIKey is UAWMSDCWPPIOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO3S/c1-22-18(21)16-10-14(11-6-8-12(20)9-7-11)17(23-16)13-4-2-3-5-15(13)19/h2-10,20H,1H3.
What are the key properties of methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate?
methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate has a molecular weight of 344.82 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-chlorophenyl)-4-(4-hydroxyphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 67299283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).