2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol

C10H10BrF3O2 — CID 117481446

IUPAC2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(CCO)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-16-9-6(2-3-15)4-7(11)5-8(9)10(12,13)14/h4-5,15H,2-3H2,1H3
InChIKeyMRHHJTOEGNJIOJ-UHFFFAOYSA-N
MW299.09 g/mol
LogP3.01
Rot. Bonds3

About 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol

2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol (PubChem CID 117481446) has the molecular formula C10H10BrF3O2 and a molecular weight of 299.09 g/mol. Its IUPAC name is 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
PubChem CID117481446
Molecular FormulaC10H10BrF3O2
Molecular Weight299.09 g/mol
Exact Mass297.98
IUPAC Name2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
SMILESCOc1c(CCO)cc(Br)cc1C(F)(F)F
InChIInChI=1S/C10H10BrF3O2/c1-16-9-6(2-3-15)4-7(11)5-8(9)10(12,13)14/h4-5,15H,2-3H2,1H3
InChIKeyMRHHJTOEGNJIOJ-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-1-(bromomethyl)-2-methoxy-3-(trifluoromethyl)benzene
CID 130153862
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117499020
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
2-amino-1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117499005
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
1-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 117494647
2-(5-bromo-3-tert-butyl-2-methoxyphenyl)acetic acid
CID 117485194
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
N-[(5-bromo-3-tert-butyl-2-methoxyphenyl)methyl]hydroxylamine
CID 117465362
2-[2-[4-bromo-2-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 107713703
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344

Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol (CID 117481446) is 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol is COc1c(CCO)cc(Br)cc1C(F)(F)F.
What is the InChIKey of 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MRHHJTOEGNJIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3O2/c1-16-9-6(2-3-15)4-7(11)5-8(9)10(12,13)14/h4-5,15H,2-3H2,1H3.
What are the key properties of 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol?
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 299.09 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117481446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).