2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

C10H10O3 — CID 21218235

IUPAC2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1c2ccccc2CC1O
InChIInChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)
InChIKeyHLYJBRIRRUNJAC-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.77
Rot. Bonds1

About 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 21218235) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID21218235
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1c2ccccc2CC1O
InChIInChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13)
InChIKeyHLYJBRIRRUNJAC-UHFFFAOYSA-N
XLogP0.77
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 21218235) is 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)C1c2ccccc2CC1O.
What is the InChIKey of 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is HLYJBRIRRUNJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-5-6-3-1-2-4-7(6)9(8)10(12)13/h1-4,8-9,11H,5H2,(H,12,13).
What are the key properties of 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 21218235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).