(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol

C10H10BrClO — CID 177205675

IUPAC(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccc(Cl)cc2CC[C@@H]1Br
InChIInChI=1S/C10H10BrClO/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1
InChIKeyCRNLHYAGKDHSJR-VHSXEESVSA-N
MW261.55 g/mol
LogP3.08
Rot. Bonds

About (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol

(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 177205675) has the molecular formula C10H10BrClO and a molecular weight of 261.55 g/mol. Its IUPAC name is (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID177205675
Molecular FormulaC10H10BrClO
Molecular Weight261.55 g/mol
Exact Mass259.96
IUPAC Name(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESO[C@@H]1c2ccc(Cl)cc2CC[C@@H]1Br
InChIInChI=1S/C10H10BrClO/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1
InChIKeyCRNLHYAGKDHSJR-VHSXEESVSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.55
LogP ≤ 53.08
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 (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol (CID 177205675) is (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol is O[C@@H]1c2ccc(Cl)cc2CC[C@@H]1Br.
What is the InChIKey of (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is CRNLHYAGKDHSJR-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10BrClO/c11-9-4-1-6-5-7(12)2-3-8(6)10(9)13/h2-3,5,9-10,13H,1,4H2/t9-,10+/m0/s1.
What are the key properties of (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol?
(1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 261.55 g/mol, XLogP of 3.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-bromo-6-chloro-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 177205675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).