2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol

C11H13F3O3 — CID 117378332

IUPAC2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1cc(CCO)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H13F3O3/c1-16-9-6-7(3-4-15)5-8(10(9)17-2)11(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyNJZIMJMKJNTNDA-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.26
Rot. Bonds4

About 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol

2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol (PubChem CID 117378332) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
PubChem CID117378332
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
SMILESCOc1cc(CCO)cc(C(F)(F)F)c1OC
InChIInChI=1S/C11H13F3O3/c1-16-9-6-7(3-4-15)5-8(10(9)17-2)11(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyNJZIMJMKJNTNDA-UHFFFAOYSA-N
XLogP2.26
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]methanol
CID 84691885
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
[4-fluoro-3-methoxy-5-(trifluoromethyl)phenyl]methanol
CID 171014426
2-[5-bromo-2-methoxy-3-(trifluoromethyl)phenyl]ethanol
CID 117481446
4-(2-aminooxyethyl)-2-methoxy-6-(trifluoromethyl)phenol
CID 117380355
2-(5-ethyl-2,3-dimethoxyphenyl)-2-methylpropan-1-ol
CID 117349589
1-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanamine
CID 84706946
2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]propan-2-ol
CID 117353559
N-[[2-(trifluoromethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 20968994
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117449576

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol (CID 117378332) is 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol is COc1cc(CCO)cc(C(F)(F)F)c1OC.
What is the InChIKey of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol?
The InChIKey is NJZIMJMKJNTNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-16-9-6-7(3-4-15)5-8(10(9)17-2)11(12,13)14/h5-6,15H,3-4H2,1-2H3.
What are the key properties of 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol?
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 117378332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).