6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

C15H12ClNO3 — CID 174666733

IUPAC6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(-c3ccc(Cl)cc3)cc2N1O
InChIInChI=1S/C15H12ClNO3/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)17(20)13(11)7-10/h1-7,14,20H,8H2,(H,18,19)
InChIKeySROHIICLJGGJMG-UHFFFAOYSA-N
MW289.72 g/mol
LogP3.21
Rot. Bonds2

About 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid

6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (PubChem CID 174666733) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
PubChem CID174666733
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccc(-c3ccc(Cl)cc3)cc2N1O
InChIInChI=1S/C15H12ClNO3/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)17(20)13(11)7-10/h1-7,14,20H,8H2,(H,18,19)
InChIKeySROHIICLJGGJMG-UHFFFAOYSA-N
XLogP3.21
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid (CID 174666733) is 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccc(-c3ccc(Cl)cc3)cc2N1O.
What is the InChIKey of 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is SROHIICLJGGJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-12-5-3-9(4-6-12)10-1-2-11-8-14(15(18)19)17(20)13(11)7-10/h1-7,14,20H,8H2,(H,18,19).
What are the key properties of 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid?
6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 289.72 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-hydroxy-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 174666733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).