1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol

C12H15F3O2 — CID 82262869

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(O)CC
InChIInChI=1S/C12H15F3O2/c1-3-10(16)9-7-8(12(13,14)15)5-6-11(9)17-4-2/h5-7,10,16H,3-4H2,1-2H3
InChIKeyKYDOPFVAFWVFMZ-UHFFFAOYSA-N
MW248.24 g/mol
LogP3.55
Rot. Bonds4

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol

1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 82262869) has the molecular formula C12H15F3O2 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID82262869
Molecular FormulaC12H15F3O2
Molecular Weight248.24 g/mol
Exact Mass248.10
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCOc1ccc(C(F)(F)F)cc1C(O)CC
InChIInChI=1S/C12H15F3O2/c1-3-10(16)9-7-8(12(13,14)15)5-6-11(9)17-4-2/h5-7,10,16H,3-4H2,1-2H3
InChIKeyKYDOPFVAFWVFMZ-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-tert-butyl-2-propoxyphenyl)propan-1-ol
CID 82264401
2-amino-5-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-3-ol
CID 83921250
4-[2-ethoxy-5-(trifluoromethyl)phenyl]hexan-1-amine
CID 83921157
1-(5-tert-butyl-2-octoxyphenyl)propan-1-ol
CID 141201801
2-amino-1-[2-ethoxy-5-(trifluoromethyl)phenyl]-4-(methylamino)butan-1-ol
CID 83921180
2-[2-[2-ethoxy-5-(trifluoromethyl)phenyl]butyl]-3-ethyloxirane
CID 83921243
1-ethoxy-2-hept-4-yn-2-yl-4-(trifluoromethyl)benzene
CID 83921221
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
4-[2-ethoxy-5-(trifluoromethyl)phenyl]butane-1,2-diol
CID 83921247
2-ethoxy-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 164892008
2-ethoxy-1-iodo-4-(trifluoromethyl)benzene
CID 164892007

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol (CID 82262869) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol is CCOc1ccc(C(F)(F)F)cc1C(O)CC.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is KYDOPFVAFWVFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O2/c1-3-10(16)9-7-8(12(13,14)15)5-6-11(9)17-4-2/h5-7,10,16H,3-4H2,1-2H3.
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 248.24 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 82262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).