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

C10H9BrO3 — CID 115047924

IUPAC5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)ccc2C1O
InChIInChI=1S/C10H9BrO3/c11-6-1-2-7-5(3-6)4-8(9(7)12)10(13)14/h1-3,8-9,12H,4H2,(H,13,14)
InChIKeyPHOUBZWIUUZWNZ-UHFFFAOYSA-N
MW257.08 g/mol
LogP1.74
Rot. Bonds1

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

5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 115047924) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID115047924
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=C(O)C1Cc2cc(Br)ccc2C1O
InChIInChI=1S/C10H9BrO3/c11-6-1-2-7-5(3-6)4-8(9(7)12)10(13)14/h1-3,8-9,12H,4H2,(H,13,14)
InChIKeyPHOUBZWIUUZWNZ-UHFFFAOYSA-N
XLogP1.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid (CID 115047924) is 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid is O=C(O)C1Cc2cc(Br)ccc2C1O.
What is the InChIKey of 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is PHOUBZWIUUZWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c11-6-1-2-7-5(3-6)4-8(9(7)12)10(13)14/h1-3,8-9,12H,4H2,(H,13,14).
What are the key properties of 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid?
5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 257.08 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 115047924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).