2-(2-bromo-3,5-dimethylphenyl)propan-2-ol

C11H15BrO — CID 84703706

IUPAC2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(Br)c(C(C)(C)O)c1
InChIInChI=1S/C11H15BrO/c1-7-5-8(2)10(12)9(6-7)11(3,4)13/h5-6,13H,1-4H3
InChIKeyXUWRSQAVVWWKGQ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.29
Rot. Bonds1

About 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol

2-(2-bromo-3,5-dimethylphenyl)propan-2-ol (PubChem CID 84703706) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
PubChem CID84703706
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-(2-bromo-3,5-dimethylphenyl)propan-2-ol
SMILESCc1cc(C)c(Br)c(C(C)(C)O)c1
InChIInChI=1S/C11H15BrO/c1-7-5-8(2)10(12)9(6-7)11(3,4)13/h5-6,13H,1-4H3
InChIKeyXUWRSQAVVWWKGQ-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-2,5-dimethylphenyl)propan-2-ol
CID 84668610
2-bromo-6-(2-hydroxypropan-2-yl)-3-methylphenol
CID 84704863
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-[2,4,5-tris(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 59095314
2-(2-hydroxypropan-2-yl)-3,5-dimethylphenol
CID 117278445
2-[3-(2,2-dimethylpropyl)-2,5-dimethylphenyl]propan-2-ol
CID 163600414
2-[3-(2-hydroxypropan-2-yl)-5-methylphenyl]propan-2-ol
CID 59095256
1,2-ditert-butyl-3,5-dimethylbenzene
CID 159753674
2-bromo-1-fluoro-3,5-dimethylbenzene;ethane
CID 142302945
2-(2-tert-butyl-5,7-dimethylquinolin-4-yl)propan-2-ol
CID 82448690
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
CID 59187830
(1R)-1-(2-bromo-3-methylphenyl)-1-phenylethanol
CID 164671387

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol?
The IUPAC name of 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol (CID 84703706) is 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol.
What is the SMILES notation for 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol?
The canonical SMILES for 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol is Cc1cc(C)c(Br)c(C(C)(C)O)c1.
What is the InChIKey of 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol?
The InChIKey is XUWRSQAVVWWKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-7-5-8(2)10(12)9(6-7)11(3,4)13/h5-6,13H,1-4H3.
What are the key properties of 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol?
2-(2-bromo-3,5-dimethylphenyl)propan-2-ol has a molecular weight of 243.14 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3,5-dimethylphenyl)propan-2-ol is sourced from PubChem (CID 84703706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).