(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol

C9H9BrO — CID 820606

IUPAC(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9+/m1/s1
InChIKeyRTESDSDXFLYAKZ-BDAKNGLRSA-N
MW213.07 g/mol
LogP2.04
Rot. Bonds

About (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol

(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol (PubChem CID 820606) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
PubChem CID820606
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1c2ccccc2C[C@H]1Br
InChIInChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9+/m1/s1
InChIKeyRTESDSDXFLYAKZ-BDAKNGLRSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol (CID 820606) is (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol is O[C@H]1c2ccccc2C[C@H]1Br.
What is the InChIKey of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RTESDSDXFLYAKZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H9BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8-9,11H,5H2/t8-,9+/m1/s1.
What are the key properties of (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol?
(1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol has a molecular weight of 213.07 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-bromo-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 820606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).