(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol

C9H9BrO2 — CID 101243117

IUPAC(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
SMILESO[C@@H]1Cc2ccc(Br)cc2[C@@H]1O
InChIInChI=1S/C9H9BrO2/c10-6-2-1-5-3-8(11)9(12)7(5)4-6/h1-2,4,8-9,11-12H,3H2/t8-,9+/m1/s1
InChIKeyHUSIJTCSGAHUQN-BDAKNGLRSA-N
MW229.07 g/mol
LogP1.40
Rot. Bonds

About (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol

(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol (PubChem CID 101243117) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol.

Molecular Properties

Compound Name(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
PubChem CID101243117
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol
SMILESO[C@@H]1Cc2ccc(Br)cc2[C@@H]1O
InChIInChI=1S/C9H9BrO2/c10-6-2-1-5-3-8(11)9(12)7(5)4-6/h1-2,4,8-9,11-12H,3H2/t8-,9+/m1/s1
InChIKeyHUSIJTCSGAHUQN-BDAKNGLRSA-N
XLogP1.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol?
The IUPAC name of (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol (CID 101243117) is (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol.
What is the SMILES notation for (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol?
The canonical SMILES for (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol is O[C@@H]1Cc2ccc(Br)cc2[C@@H]1O.
What is the InChIKey of (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol?
The InChIKey is HUSIJTCSGAHUQN-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H9BrO2/c10-6-2-1-5-3-8(11)9(12)7(5)4-6/h1-2,4,8-9,11-12H,3H2/t8-,9+/m1/s1.
What are the key properties of (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol?
(1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol has a molecular weight of 229.07 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-6-bromo-2,3-dihydro-1H-indene-1,2-diol is sourced from PubChem (CID 101243117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).