1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol

C15H13F3O2 — CID 154304845

IUPAC1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-10(19)11-5-7-12(8-6-11)13-3-2-4-14(9-13)20-15(16,17)18/h2-10,19H,1H3
InChIKeyKKDNHBAKVIXYHQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.31
Rot. Bonds3

About 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol

1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol (PubChem CID 154304845) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
PubChem CID154304845
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3O2/c1-10(19)11-5-7-12(8-6-11)13-3-2-4-14(9-13)20-15(16,17)18/h2-10,19H,1H3
InChIKeyKKDNHBAKVIXYHQ-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
3-(difluoromethyl)-5-[3-(trifluoromethoxy)phenyl]aniline
CID 171394040
(1R)-2-morpholin-4-yl-1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 126446750
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-methoxy-5-[3-(trifluoromethoxy)phenyl]phenol
CID 53221067
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
2-(difluoromethoxy)-4-[3-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134622401
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 141128245
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol (CID 154304845) is 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol is CC(O)c1ccc(-c2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol?
The InChIKey is KKDNHBAKVIXYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c1-10(19)11-5-7-12(8-6-11)13-3-2-4-14(9-13)20-15(16,17)18/h2-10,19H,1H3.
What are the key properties of 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol?
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol has a molecular weight of 282.26 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol is sourced from PubChem (CID 154304845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).