4-(3-methylphenyl)thiophene-3-carboxylic acid

C12H10O2S — CID 83234591

IUPAC4-(3-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1cccc(-c2cscc2C(=O)O)c1
InChIInChI=1S/C12H10O2S/c1-8-3-2-4-9(5-8)10-6-15-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyYFAAJMZICMQWEC-UHFFFAOYSA-N
MW218.28 g/mol
LogP3.42
Rot. Bonds2

About 4-(3-methylphenyl)thiophene-3-carboxylic acid

4-(3-methylphenyl)thiophene-3-carboxylic acid (PubChem CID 83234591) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is 4-(3-methylphenyl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-methylphenyl)thiophene-3-carboxylic acid
PubChem CID83234591
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name4-(3-methylphenyl)thiophene-3-carboxylic acid
SMILESCc1cccc(-c2cscc2C(=O)O)c1
InChIInChI=1S/C12H10O2S/c1-8-3-2-4-9(5-8)10-6-15-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyYFAAJMZICMQWEC-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
4-pyridin-4-ylthiophene-3-carboxylic acid
CID 83235084
4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
CID 82130354
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
4-phenylthiophene-3-carboxylate
CID 6974416
methyl 4-(3-aminophenyl)thiophene-3-carboxylate
CID 117223546
4-fluoro-3-(3-methylphenyl)benzoic acid
CID 52984086
4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
3-(3-methylphenyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 61308187
phenyl-(4-phenylthiophen-3-yl)methanone
CID 10730343
2-(3-methylphenyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 82391091
3-amino-5-(3-methylphenyl)thiophene-2-carboxylic acid
CID 83036382

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(3-methylphenyl)thiophene-3-carboxylic acid (CID 83234591) is 4-(3-methylphenyl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(3-methylphenyl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(3-methylphenyl)thiophene-3-carboxylic acid is Cc1cccc(-c2cscc2C(=O)O)c1.
What is the InChIKey of 4-(3-methylphenyl)thiophene-3-carboxylic acid?
The InChIKey is YFAAJMZICMQWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-8-3-2-4-9(5-8)10-6-15-7-11(10)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 4-(3-methylphenyl)thiophene-3-carboxylic acid?
4-(3-methylphenyl)thiophene-3-carboxylic acid has a molecular weight of 218.28 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)thiophene-3-carboxylic acid is sourced from PubChem (CID 83234591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).