(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

C11H12Br2O — CID 102321992

IUPAC(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C[C@H](CBr)[C@H]1Br
InChIInChI=1S/C11H12Br2O/c12-6-8-5-7-3-1-2-4-9(7)11(14)10(8)13/h1-4,8,10-11,14H,5-6H2/t8-,10-,11-/m1/s1
InChIKeyYIXRNGZBGPPKLH-FBIMIBRVSA-N
MW320.02 g/mol
LogP3.05
Rot. Bonds1

About (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 102321992) has the molecular formula C11H12Br2O and a molecular weight of 320.02 g/mol. Its IUPAC name is (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID102321992
Molecular FormulaC11H12Br2O
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccccc2C[C@H](CBr)[C@H]1Br
InChIInChI=1S/C11H12Br2O/c12-6-8-5-7-3-1-2-4-9(7)11(14)10(8)13/h1-4,8,10-11,14H,5-6H2/t8-,10-,11-/m1/s1
InChIKeyYIXRNGZBGPPKLH-FBIMIBRVSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 53.05
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

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CID 65438345
(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
(2R)-2-(pyrrolidin-1-ylmethyl)-2,3-dihydro-1H-inden-1-ol
CID 58393646
(1S,2S)-2-iodo-2,3-dihydro-1H-inden-1-ol
CID 11821326
(1R,2S,3S,4R)-2,3-dibromo-1,2,3,4-tetrahydronaphthalene-1,4-diol
CID 12740385
2-(4,4,4-trifluorobutyl)-2,3-dihydro-1H-inden-1-ol
CID 113327265
2-(2-phenylsulfanylethyl)-2,3-dihydro-1H-inden-1-ol
CID 79227500
(1S,2S)-2-methanidyl-2,3-dihydro-1H-inden-1-ol;nickel
CID 177486756
2-[(5-bromo-3-pyridinyl)methyl]-2,3-dihydro-1H-inden-1-ol
CID 104810033
2-(2-methylpentyl)-2,3-dihydro-1H-inden-1-ol
CID 62264698

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol (CID 102321992) is (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1c2ccccc2C[C@H](CBr)[C@H]1Br.
What is the InChIKey of (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is YIXRNGZBGPPKLH-FBIMIBRVSA-N. The full InChI is InChI=1S/C11H12Br2O/c12-6-8-5-7-3-1-2-4-9(7)11(14)10(8)13/h1-4,8,10-11,14H,5-6H2/t8-,10-,11-/m1/s1.
What are the key properties of (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 320.02 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3R)-2-bromo-3-(bromomethyl)-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 102321992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).