2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

C14H12O3S — CID 107431968

IUPAC2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCc2ccccc21
InChIInChI=1S/C14H12O3S/c15-13(16)10-6-8-18-12(10)14(17)7-5-9-3-1-2-4-11(9)14/h1-4,6,8,17H,5,7H2,(H,15,16)
InChIKeyLBVJOSQXPUBHKI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.63
Rot. Bonds2

About 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid

2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (PubChem CID 107431968) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
PubChem CID107431968
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid
SMILESO=C(O)c1ccsc1C1(O)CCc2ccccc21
InChIInChI=1S/C14H12O3S/c15-13(16)10-6-8-18-12(10)14(17)7-5-9-3-1-2-4-11(9)14/h1-4,6,8,17H,5,7H2,(H,15,16)
InChIKeyLBVJOSQXPUBHKI-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The IUPAC name of 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid (CID 107431968) is 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid.
What is the SMILES notation for 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The canonical SMILES for 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is O=C(O)c1ccsc1C1(O)CCc2ccccc21.
What is the InChIKey of 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
The InChIKey is LBVJOSQXPUBHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S/c15-13(16)10-6-8-18-12(10)14(17)7-5-9-3-1-2-4-11(9)14/h1-4,6,8,17H,5,7H2,(H,15,16).
What are the key properties of 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid?
2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-2,3-dihydroinden-1-yl)thiophene-3-carboxylic acid is sourced from PubChem (CID 107431968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).