4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

C10H9ClO3 — CID 168771424

IUPAC4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(O)c(Cl)c2C1
InChIInChI=1S/C10H9ClO3/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6,12H,3-4H2,(H,13,14)
InChIKeyJHQNUDJCGIUQCN-UHFFFAOYSA-N
MW212.63 g/mol
LogP1.85
Rot. Bonds1

About 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid

4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 168771424) has the molecular formula C10H9ClO3 and a molecular weight of 212.63 g/mol. Its IUPAC name is 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID168771424
Molecular FormulaC10H9ClO3
Molecular Weight212.63 g/mol
Exact Mass212.02
IUPAC Name4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(O)c(Cl)c2C1
InChIInChI=1S/C10H9ClO3/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6,12H,3-4H2,(H,13,14)
InChIKeyJHQNUDJCGIUQCN-UHFFFAOYSA-N
XLogP1.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.63
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid (CID 168771424) is 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1Cc2ccc(O)c(Cl)c2C1.
What is the InChIKey of 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is JHQNUDJCGIUQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClO3/c11-9-7-4-6(10(13)14)3-5(7)1-2-8(9)12/h1-2,6,12H,3-4H2,(H,13,14).
What are the key properties of 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 212.63 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 168771424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).