5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid

C12H9ClO2S — CID 43153970

IUPAC5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C12H9ClO2S/c1-7-8(3-2-4-9(7)13)10-5-6-11(16-10)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyHYLQUJWBVRCCDX-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.08
Rot. Bonds2

About 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid

5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid (PubChem CID 43153970) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
PubChem CID43153970
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid
SMILESCc1c(Cl)cccc1-c1ccc(C(=O)O)s1
InChIInChI=1S/C12H9ClO2S/c1-7-8(3-2-4-9(7)13)10-5-6-11(16-10)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyHYLQUJWBVRCCDX-UHFFFAOYSA-N
XLogP4.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-amino-2-hydroxyphenyl)thiophene-2-carboxylic acid
CID 68613630
5-(2-chlorothiophen-3-yl)thiophene-2-carboxylic acid
CID 14113884
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 135215247
5-(4-phenylphenyl)thiophene-2-carboxylic acid
CID 7130760
5-[5-(4-carboxy-3-ethyl-2-methylphenyl)thiophen-2-yl]thiophene-2-carboxylic acid
CID 141257769
5-(5,6,7,8-tetrahydronaphthalen-1-yl)thiophene-2-carboxylic acid
CID 43153962
5-[2-(methoxymethyl)phenyl]thiophene-2-carboxylic acid
CID 54965438
2-chloro-1-[5-(2-chlorophenyl)thiophen-2-yl]ethanone
CID 95474216
2-[2-(3-chloro-2-methylphenyl)phenyl]acetic acid
CID 123817311
5-(3-chloro-2-methylphenyl)pyridine-2-carboxylic acid
CID 53223446
5-[2-(2-methylpropoxy)phenyl]thiophene-2-carboxylic acid
CID 167136873

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid (CID 43153970) is 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid is Cc1c(Cl)cccc1-c1ccc(C(=O)O)s1.
What is the InChIKey of 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid?
The InChIKey is HYLQUJWBVRCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c1-7-8(3-2-4-9(7)13)10-5-6-11(16-10)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid?
5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid has a molecular weight of 252.72 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylphenyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 43153970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).