[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol

C11H13F3O3 — CID 43366753

IUPAC[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-2-16-9-5-3-4-8(6-15)10(9)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3
InChIKeyKAODABAZGDJONR-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.52
Rot. Bonds5

About [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol

[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol (PubChem CID 43366753) has the molecular formula C11H13F3O3 and a molecular weight of 250.22 g/mol. Its IUPAC name is [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
PubChem CID43366753
Molecular FormulaC11H13F3O3
Molecular Weight250.22 g/mol
Exact Mass250.08
IUPAC Name[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol
SMILESCCOc1cccc(CO)c1OCC(F)(F)F
InChIInChI=1S/C11H13F3O3/c1-2-16-9-5-3-4-8(6-15)10(9)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3
InChIKeyKAODABAZGDJONR-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-methoxy-2-(3,3,3-trifluoropropoxy)phenyl]methanol
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[3-ethoxy-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The IUPAC name of [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol (CID 43366753) is [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol.
What is the SMILES notation for [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The canonical SMILES for [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol is CCOc1cccc(CO)c1OCC(F)(F)F.
What is the InChIKey of [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
The InChIKey is KAODABAZGDJONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O3/c1-2-16-9-5-3-4-8(6-15)10(9)17-7-11(12,13)14/h3-5,15H,2,6-7H2,1H3.
What are the key properties of [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol?
[3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol has a molecular weight of 250.22 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-2-(2,2,2-trifluoroethoxy)phenyl]methanol is sourced from PubChem (CID 43366753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).