2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol

C11H13F3O3 — CID 170887317

IUPAC2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
SMILESOCCc1cc(CCO)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3O3/c12-11(13,14)17-10-6-8(1-3-15)5-9(7-10)2-4-16/h5-7,15-16H,1-4H2
InChIKeyBFCQFHYFSFAPQY-UHFFFAOYSA-N
MW250.22 g/mol
LogP1.65
Rot. Bonds5

About 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol

2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol (PubChem CID 170887317) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
PubChem CID170887317
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
SMILESOCCc1cc(CCO)cc(OC(F)(F)F)c1
InChIInChI=1S/C11H13F3O3/c12-11(13,14)17-10-6-8(1-3-15)5-9(7-10)2-4-16/h5-7,15-16H,1-4H2
InChIKeyBFCQFHYFSFAPQY-UHFFFAOYSA-N
XLogP1.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol (CID 170887317) is 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol is OCCc1cc(CCO)cc(OC(F)(F)F)c1.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol?
The InChIKey is BFCQFHYFSFAPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c12-11(13,14)17-10-6-8(1-3-15)5-9(7-10)2-4-16/h5-7,15-16H,1-4H2.
What are the key properties of 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol?
2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol has a molecular weight of 250.22 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol is sourced from PubChem (CID 170887317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).