4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid

C14H12O2S — CID 82130354

IUPAC4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12O2S/c15-14(16)13-8-17-7-12(13)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,15,16)
InChIKeyBFFKSENKOQRGAI-UHFFFAOYSA-N
MW244.32 g/mol
LogP3.60
Rot. Bonds2

About 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid

4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid (PubChem CID 82130354) has the molecular formula C14H12O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
PubChem CID82130354
Molecular FormulaC14H12O2S
Molecular Weight244.32 g/mol
Exact Mass244.06
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1cscc1-c1ccc2c(c1)CCC2
InChIInChI=1S/C14H12O2S/c15-14(16)13-8-17-7-12(13)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,15,16)
InChIKeyBFFKSENKOQRGAI-UHFFFAOYSA-N
XLogP3.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-methyl-2-oxo-3H-indol-5-yl)thiophene-3-carboxylic acid
CID 82488719
3-amino-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-2-carboxylic acid
CID 83971331
5-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)thiophene-3-carboxylic acid
CID 82488609
2-(2,3-dihydro-1H-inden-5-yl)-5-hydroxypyridine-4-carboxylic acid
CID 116864741
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
CID 82381465
2-prop-1-ynyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
CID 139463175
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82134601
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid (CID 82130354) is 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid is O=C(O)c1cscc1-c1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid?
The InChIKey is BFFKSENKOQRGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2S/c15-14(16)13-8-17-7-12(13)11-5-4-9-2-1-3-10(9)6-11/h4-8H,1-3H2,(H,15,16).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid has a molecular weight of 244.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 82130354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).