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

C10H10Br2O — CID 125478754

IUPAC(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1C(Br)Br
InChIInChI=1S/C10H10Br2O/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-10,13H,5H2/t8-,9+/m0/s1
InChIKeyFPYWIVIKLBUXEO-DTWKUNHWSA-N
MW306.00 g/mol
LogP2.80
Rot. Bonds1

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

(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol (PubChem CID 125478754) has the molecular formula C10H10Br2O and a molecular weight of 306.00 g/mol. Its IUPAC name is (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol
PubChem CID125478754
Molecular FormulaC10H10Br2O
Molecular Weight306.00 g/mol
Exact Mass303.91
IUPAC Name(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol
SMILESO[C@H]1Cc2ccccc2[C@H]1C(Br)Br
InChIInChI=1S/C10H10Br2O/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-10,13H,5H2/t8-,9+/m0/s1
InChIKeyFPYWIVIKLBUXEO-DTWKUNHWSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.00
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,3-dihydro-1H-indene-1,2-diol
CID 68820122
CID 87918176
CID 87918176
(1S)-1-methyl-2,3-dihydro-1H-inden-2-ol
CID 89059414
(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-ol;hydrochloride
CID 122360167
(1R,2R)-1-(sulfanylamino)-2,3-dihydro-1H-inden-2-ol
CID 146535071
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
CID 102321992
(1S,2S)-1-ethyl-2,3-dihydro-1H-inden-2-ol
CID 130811012
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
(1R,2S)-1-(2-methylpropylamino)-2,3-dihydro-1H-inden-2-ol
CID 103880518
1-(cyclopropylamino)-2,3-dihydro-1H-inden-2-ol
CID 77423862
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol (CID 125478754) is (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol is O[C@H]1Cc2ccccc2[C@H]1C(Br)Br.
What is the InChIKey of (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol?
The InChIKey is FPYWIVIKLBUXEO-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H10Br2O/c11-10(12)9-7-4-2-1-3-6(7)5-8(9)13/h1-4,8-10,13H,5H2/t8-,9+/m0/s1.
What are the key properties of (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol?
(1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol has a molecular weight of 306.00 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-(dibromomethyl)-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 125478754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).