6-bromo-2-methyl-2-phenylhexan-1-ol

C13H19BrO — CID 11300228

IUPAC6-bromo-2-methyl-2-phenylhexan-1-ol
SMILESCC(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
InChIKeyAQKAWNXLAOUSLZ-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.50
Rot. Bonds6

About 6-bromo-2-methyl-2-phenylhexan-1-ol

6-bromo-2-methyl-2-phenylhexan-1-ol (PubChem CID 11300228) has the molecular formula C13H19BrO and a molecular weight of 271.20 g/mol. Its IUPAC name is 6-bromo-2-methyl-2-phenylhexan-1-ol.

Molecular Properties

Compound Name6-bromo-2-methyl-2-phenylhexan-1-ol
PubChem CID11300228
Molecular FormulaC13H19BrO
Molecular Weight271.20 g/mol
Exact Mass270.06
IUPAC Name6-bromo-2-methyl-2-phenylhexan-1-ol
SMILESCC(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
InChIKeyAQKAWNXLAOUSLZ-UHFFFAOYSA-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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Related Compounds

(2R)-6-bromo-2-methyl-2-phenylhexan-1-ol
CID 129363498
15-hydroxy-2,14-dimethyl-8-oxo-2,14-diphenylpentadecanoic acid;methane
CID 161045446
1,3-bis(5-hydroxy-4-methyl-4-phenylpentyl)thiourea
CID 11350862
8-bromo-2-methyl-2-phenyloctane-1,1-diol
CID 54137380
6-(6-hydroxy-5,5-dimethylhexyl)sulfinyl-2,2-dimethylhexan-1-ol;5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol
CID 160623973
1,15-dihydroxy-3,13-dimethyl-3,13-diphenylpentadecan-8-one
CID 23431379
3-methyl-3-phenylpentane-1,5-diol
CID 3019682
4-methyl-4-phenylheptan-1-ol
CID 90978334
3,13-dimethyl-3,13-diphenylpentadecane-1,8,15-triol
CID 59660113
(2S)-2-[(2R)-7-bromo-2-methyl-2-phenylheptoxy]oxane
CID 129363836
3,15-dimethyl-3,15-diphenylheptadecane-1,9,17-triol
CID 59660095
(9-bromo-2-methylnonan-2-yl)-hydroxy-diphenylsilane
CID 90132778

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methyl-2-phenylhexan-1-ol?
The IUPAC name of 6-bromo-2-methyl-2-phenylhexan-1-ol (CID 11300228) is 6-bromo-2-methyl-2-phenylhexan-1-ol.
What is the SMILES notation for 6-bromo-2-methyl-2-phenylhexan-1-ol?
The canonical SMILES for 6-bromo-2-methyl-2-phenylhexan-1-ol is CC(CO)(CCCCBr)c1ccccc1.
What is the InChIKey of 6-bromo-2-methyl-2-phenylhexan-1-ol?
The InChIKey is AQKAWNXLAOUSLZ-UHFFFAOYSA-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.
What are the key properties of 6-bromo-2-methyl-2-phenylhexan-1-ol?
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 6-bromo-2-methyl-2-phenylhexan-1-ol is sourced from PubChem (CID 11300228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).