3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol

C16H15F3O3 — CID 173159432

IUPAC3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol
SMILESCOc1cc(C(F)(F)F)ccc1C(C)Oc1cccc(O)c1
InChIInChI=1S/C16H15F3O3/c1-10(22-13-5-3-4-12(20)9-13)14-7-6-11(16(17,18)19)8-15(14)21-2/h3-10,20H,1-2H3
InChIKeyHMEJSARUUNCLOO-UHFFFAOYSA-N
MW312.29 g/mol
LogP4.56
Rot. Bonds4

About 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol

3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol (PubChem CID 173159432) has the molecular formula C16H15F3O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol.

Molecular Properties

Compound Name3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol
PubChem CID173159432
Molecular FormulaC16H15F3O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol
SMILESCOc1cc(C(F)(F)F)ccc1C(C)Oc1cccc(O)c1
InChIInChI=1S/C16H15F3O3/c1-10(22-13-5-3-4-12(20)9-13)14-7-6-11(16(17,18)19)8-15(14)21-2/h3-10,20H,1-2H3
InChIKeyHMEJSARUUNCLOO-UHFFFAOYSA-N
XLogP4.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 171271952
1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 167530944
3-(1,1,1-trifluoropropan-2-yloxy)phenol
CID 117095393
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
5-[2-methoxy-4-(trifluoromethyl)phenyl]hexan-2-one
CID 83921367
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
2-amino-1-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 155973060
(3R)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol
CID 171251936
(3S)-3-amino-3-[2-methoxy-4-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171245204
benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
1-[2-methoxy-4-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820747
3,4-dihydroxy-4-[2-methoxy-4-(trifluoromethyl)phenyl]butanenitrile
CID 171901836

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol?
The IUPAC name of 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol (CID 173159432) is 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol.
What is the SMILES notation for 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol?
The canonical SMILES for 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol is COc1cc(C(F)(F)F)ccc1C(C)Oc1cccc(O)c1.
What is the InChIKey of 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol?
The InChIKey is HMEJSARUUNCLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O3/c1-10(22-13-5-3-4-12(20)9-13)14-7-6-11(16(17,18)19)8-15(14)21-2/h3-10,20H,1-2H3.
What are the key properties of 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol?
3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol has a molecular weight of 312.29 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol is sourced from PubChem (CID 173159432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).