[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol

C15H9ClF6O2 — CID 122695284

IUPAC[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF6O2/c16-12-3-2-9(6-10(12)14(17,18)19)24-13-4-1-8(7-23)5-11(13)15(20,21)22/h1-6,23H,7H2
InChIKeyFRMGXEARPFETRY-UHFFFAOYSA-N
MW370.68 g/mol
LogP5.66
Rot. Bonds3

About [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol

[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol (PubChem CID 122695284) has the molecular formula C15H9ClF6O2 and a molecular weight of 370.68 g/mol. Its IUPAC name is [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
PubChem CID122695284
Molecular FormulaC15H9ClF6O2
Molecular Weight370.68 g/mol
Exact Mass370.02
IUPAC Name[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol
SMILESOCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C(F)(F)F)c1
InChIInChI=1S/C15H9ClF6O2/c16-12-3-2-9(6-10(12)14(17,18)19)24-13-4-1-8(7-23)5-11(13)15(20,21)22/h1-6,23H,7H2
InChIKeyFRMGXEARPFETRY-UHFFFAOYSA-N
XLogP5.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.68
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-3-(trifluoromethyl)phenyl]methanol
CID 2778111
[4-(3,4-difluorophenoxy)-3-(trifluoromethyl)phenyl]methanol
CID 71240983
[3-chloro-4-[4-methyl-3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 145108431
[3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 86666206
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanol
CID 66825529
4-[4-(bromomethyl)phenoxy]-1-chloro-2-(trifluoromethyl)benzene
CID 67775976
[4-(4-chloro-3-fluorophenoxy)-3-fluorophenyl]methanol
CID 82716427
[4-(3,4-dichlorophenoxy)-3-fluorophenyl]methanol
CID 54898336
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]ethanamine
CID 86666229
4-[4-(hydroxymethyl)phenoxy]-3-(trifluoromethyl)benzonitrile
CID 115468217
[4-(1-methylpyrazol-4-yl)oxy-3-(trifluoromethyl)phenyl]methanol
CID 116793015
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010

Frequently Asked Questions

What is the IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol (CID 122695284) is [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol is OCc1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(C(F)(F)F)c1.
What is the InChIKey of [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol?
The InChIKey is FRMGXEARPFETRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6O2/c16-12-3-2-9(6-10(12)14(17,18)19)24-13-4-1-8(7-23)5-11(13)15(20,21)22/h1-6,23H,7H2.
What are the key properties of [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol?
[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol has a molecular weight of 370.68 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 122695284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).