2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol

C11H12BrF3O2 — CID 117498005

IUPAC2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Br)c1C(C)(C)O
InChIInChI=1S/C11H12BrF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3
InChIKeyIUFYIHLZYMVSBN-UHFFFAOYSA-N
MW313.11 g/mol
LogP3.70
Rot. Bonds2

About 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol

2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 117498005) has the molecular formula C11H12BrF3O2 and a molecular weight of 313.11 g/mol. Its IUPAC name is 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID117498005
Molecular FormulaC11H12BrF3O2
Molecular Weight313.11 g/mol
Exact Mass312.00
IUPAC Name2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
SMILESCOc1cc(C(F)(F)F)cc(Br)c1C(C)(C)O
InChIInChI=1S/C11H12BrF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3
InChIKeyIUFYIHLZYMVSBN-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.11
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-chloro-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol
CID 117425049
2-bromo-4-(2-hydroxypropan-2-yl)-6-methoxyphenol
CID 15547804
3-bromo-2-(2-hydroxypropan-2-yl)-5,6-dimethoxyphenol
CID 117470204
1-bromo-5-(2-fluoropropan-2-yl)-2,3-dimethoxybenzene
CID 84714628
1-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499022
2-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)propan-2-ol
CID 117473013
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
1-[2,6-dimethoxy-4-(trifluoromethyl)phenyl]ethanone
CID 84803559
2-(2-bromo-3,6-dimethoxyphenyl)propan-2-ol
CID 117439684
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
CID 84708305
1-[3-bromo-2-methoxy-5-(trifluoromethyl)phenyl]ethanone
CID 117478322
2-(2,3,5,6-tetramethoxyphenyl)propan-2-ol
CID 165348100

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol (CID 117498005) is 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol is COc1cc(C(F)(F)F)cc(Br)c1C(C)(C)O.
What is the InChIKey of 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is IUFYIHLZYMVSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3O2/c1-10(2,16)9-7(12)4-6(11(13,14)15)5-8(9)17-3/h4-5,16H,1-3H3.
What are the key properties of 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol?
2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 313.11 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-6-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117498005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).