(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol

C13H19BrO — CID 129363498

IUPAC(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
SMILESC[C@@](CO)(CCCCBr)c1ccccc1
InChIInChI=1S/C13H19BrO/c1-13(11-15,9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/t13-/m0/s1
InChIKeyAQKAWNXLAOUSLZ-ZDUSSCGKSA-N
MW271.20 g/mol
LogP3.50
Rot. Bonds6

About (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol

(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol (PubChem CID 129363498) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol.

Molecular Properties

Compound Name(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
PubChem CID129363498
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
SMILESC[C@@](CO)(CCCCBr)c1ccccc1
InChIInChI=1S/C13H19BrO/c1-13(11-15,9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/t13-/m0/s1
InChIKeyAQKAWNXLAOUSLZ-ZDUSSCGKSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol?
The IUPAC name of (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol (CID 129363498) is (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol.
What is the SMILES notation for (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol?
The canonical SMILES for (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol is C[C@@](CO)(CCCCBr)c1ccccc1.
What is the InChIKey of (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol?
The InChIKey is AQKAWNXLAOUSLZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H19BrO/c1-13(11-15,9-5-6-10-14)12-7-3-2-4-8-12/h2-4,7-8,15H,5-6,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol?
(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol has a molecular weight of 271.20 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-2-methyl-2-phenylhexan-1-ol is sourced from PubChem (CID 129363498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).