2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid

C16H12O3S — CID 12925017

IUPAC2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)C(CC(=O)O)=C2c1cccs1
InChIInChI=1S/C16H12O3S/c1-9-4-5-10-11(7-9)16(19)12(8-14(17)18)15(10)13-3-2-6-20-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyORJGWDREFCDCRP-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.53
Rot. Bonds3

About 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid

2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid (PubChem CID 12925017) has the molecular formula C16H12O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid
PubChem CID12925017
Molecular FormulaC16H12O3S
Molecular Weight284.34 g/mol
Exact Mass284.05
IUPAC Name2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid
SMILESCc1ccc2c(c1)C(=O)C(CC(=O)O)=C2c1cccs1
InChIInChI=1S/C16H12O3S/c1-9-4-5-10-11(7-9)16(19)12(8-14(17)18)15(10)13-3-2-6-20-13/h2-7H,8H2,1H3,(H,17,18)
InChIKeyORJGWDREFCDCRP-UHFFFAOYSA-N
XLogP3.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3-methylphenyl)-5-thiophen-2-ylpyrrol-2-yl]acetic acid
CID 3584418
2-(2,4-dimethylphenyl)thiophene
CID 12781163
ethyl 3-oxo-1-phenyl-5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]indene-2-carboxylate
CID 139204494
2-(2-tert-butyl-5-methylphenyl)thiophene
CID 70251318
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
2,6-dithiophen-2-ylanthracene-9,10-dione
CID 11079243
2-(5-thiophen-2-ylthiophen-2-yl)acetic acid
CID 70837097
2-[2-[5-[3-(carboxymethyl)-5-thiophen-2-ylthiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophen-3-yl]acetic acid
CID 45254028
2-(carboxymethyl)-4-thiophen-2-ylbenzoic acid
CID 121004062
2-[2-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-3-yl]acetic acid
CID 90139364
2-(4-methyl-6-oxo-2-thiophen-2-yl-1H-pyrimidin-5-yl)acetic acid
CID 135970682
[4-(hydroxymethyl)-2,5-dithiophen-2-ylphenyl]methanol
CID 137421749

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid?
The IUPAC name of 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid (CID 12925017) is 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid.
What is the SMILES notation for 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid?
The canonical SMILES for 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid is Cc1ccc2c(c1)C(=O)C(CC(=O)O)=C2c1cccs1.
What is the InChIKey of 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid?
The InChIKey is ORJGWDREFCDCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3S/c1-9-4-5-10-11(7-9)16(19)12(8-14(17)18)15(10)13-3-2-6-20-13/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid?
2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid has a molecular weight of 284.34 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-oxo-1-thiophen-2-ylinden-2-yl)acetic acid is sourced from PubChem (CID 12925017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).