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

C10H10O3 — CID 71463972

IUPAC6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc21
InChIInChI=1S/C10H10O3/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13)
InChIKeyNGFRSXQUHCTFMJ-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.51
Rot. Bonds1

About 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid

6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 71463972) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID71463972
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)C1CCc2ccc(O)cc21
InChIInChI=1S/C10H10O3/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13)
InChIKeyNGFRSXQUHCTFMJ-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid (CID 71463972) is 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)C1CCc2ccc(O)cc21.
What is the InChIKey of 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is NGFRSXQUHCTFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-3-1-6-2-4-8(10(12)13)9(6)5-7/h1,3,5,8,11H,2,4H2,(H,12,13).
What are the key properties of 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid?
6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 178.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 71463972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).