5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol

C19H12F6O2S — CID 146557451

IUPAC5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol
SMILESOc1ccc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)s1
InChIInChI=1S/C19H12F6O2S/c20-18(21,22)13-4-5-15(19(23,24)25)12(8-13)10-27-14-3-1-2-11(9-14)16-6-7-17(26)28-16/h1-9,26H,10H2
InChIKeyYXERXTBYKUCOFG-UHFFFAOYSA-N
MW418.36 g/mol
LogP6.74
Rot. Bonds4

About 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol

5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol (PubChem CID 146557451) has the molecular formula C19H12F6O2S and a molecular weight of 418.36 g/mol. Its IUPAC name is 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol.

Molecular Properties

Compound Name5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol
PubChem CID146557451
Molecular FormulaC19H12F6O2S
Molecular Weight418.36 g/mol
Exact Mass418.05
IUPAC Name5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol
SMILESOc1ccc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)s1
InChIInChI=1S/C19H12F6O2S/c20-18(21,22)13-4-5-15(19(23,24)25)12(8-13)10-27-14-3-1-2-11(9-14)16-6-7-17(26)28-16/h1-9,26H,10H2
InChIKeyYXERXTBYKUCOFG-UHFFFAOYSA-N
XLogP6.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(phenoxymethyl)-1,4-bis(trifluoromethyl)benzene
CID 141120008
2-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]chromen-4-one
CID 118987389
2-[(3-hydroxyphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221115
2-[[3-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221120
3-[[2-fluoro-5-(trifluoromethyl)phenyl]methoxy]aniline
CID 69123824
5-methyl-4-[[3-[3-(trifluoromethyl)phenyl]phenoxy]methyl]furan-2-carboxylic acid
CID 18444604
[2-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649070
3-(3-ethoxyphenyl)-5-(trifluoromethyl)phenol
CID 53222024
2-[3-[3-[[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]methoxy]phenyl]phenyl]acetic acid
CID 10411141
2-(3-phenylmethoxyphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648598
5-ethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiophene-2-carbaldehyde
CID 19621706
4-[3-[[5-fluoro-2-(trifluoromethyl)phenyl]methoxy]phenyl]-8-(trifluoromethyl)cinnoline
CID 11853301

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol?
The IUPAC name of 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol (CID 146557451) is 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol.
What is the SMILES notation for 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol?
The canonical SMILES for 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol is Oc1ccc(-c2cccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c2)s1.
What is the InChIKey of 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol?
The InChIKey is YXERXTBYKUCOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6O2S/c20-18(21,22)13-4-5-15(19(23,24)25)12(8-13)10-27-14-3-1-2-11(9-14)16-6-7-17(26)28-16/h1-9,26H,10H2.
What are the key properties of 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol?
5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol has a molecular weight of 418.36 g/mol, XLogP of 6.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2,5-bis(trifluoromethyl)phenyl]methoxy]phenyl]thiophen-2-ol is sourced from PubChem (CID 146557451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).