(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol

C10H11BrO — CID 11117768

IUPAC(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2CC[C@@H]1Br
InChIInChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6H2/t9-,10-/m0/s1
InChIKeyOTLLBSSGPSQQJY-UWVGGRQHSA-N
MW227.10 g/mol
LogP2.43
Rot. Bonds

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

(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 11117768) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID11117768
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@H]1c2ccccc2CC[C@@H]1Br
InChIInChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6H2/t9-,10-/m0/s1
InChIKeyOTLLBSSGPSQQJY-UWVGGRQHSA-N
XLogP2.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.43
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,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol (CID 11117768) is (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@H]1c2ccccc2CC[C@@H]1Br.
What is the InChIKey of (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is OTLLBSSGPSQQJY-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10,12H,5-6H2/t9-,10-/m0/s1.
What are the key properties of (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol?
(1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 227.10 g/mol, XLogP of 2.43, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-2-bromo-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 11117768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).