[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol

C24H23F3O3 — CID 58007706

IUPAC[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol
SMILESCC(C)(C)c1ccc(Oc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2CO)cc1
InChIInChI=1S/C24H23F3O3/c1-23(2,3)19-8-12-20(13-9-19)29-22-14-17(4-5-18(22)15-28)16-6-10-21(11-7-16)30-24(25,26)27/h4-14,28H,15H2,1-3H3
InChIKeyRRZBSXVIRAMXKQ-UHFFFAOYSA-N
MW416.44 g/mol
LogP6.83
Rot. Bonds5

About [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol

[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol (PubChem CID 58007706) has the molecular formula C24H23F3O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol.

Molecular Properties

Compound Name[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol
PubChem CID58007706
Molecular FormulaC24H23F3O3
Molecular Weight416.44 g/mol
Exact Mass416.16
IUPAC Name[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol
SMILESCC(C)(C)c1ccc(Oc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2CO)cc1
InChIInChI=1S/C24H23F3O3/c1-23(2,3)19-8-12-20(13-9-19)29-22-14-17(4-5-18(22)15-28)16-6-10-21(11-7-16)30-24(25,26)27/h4-14,28H,15H2,1-3H3
InChIKeyRRZBSXVIRAMXKQ-UHFFFAOYSA-N
XLogP6.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylphenoxy)-1-(2-methoxyethenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 90919320
3-(4-tert-butylphenoxy)-5-[4-(trifluoromethoxy)phenyl]phenol
CID 58008384
[2-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)phenyl]methanol
CID 118846484
ethyl 2-[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenoxy]hexanoate
CID 58008125
[2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 118807199
(E)-3-[2-[4-(2-methylbutan-2-yl)phenoxy]-4-[4-(trifluoromethoxy)phenyl]phenyl]prop-2-enoic acid
CID 58008029
[2-ethoxy-4-(trifluoromethoxy)phenyl]methanol
CID 170997954
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
1-[2-[(4-tert-butylphenyl)methoxy]-5-[4-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 58007699
3-[4-[4-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenoxy]phenyl]prop-2-enoic acid
CID 91136893
2,4-dimethyl-1-[4-[4-(trifluoromethoxy)phenyl]phenoxy]benzene
CID 67122277
1,4-bis(bromomethyl)-2,5-bis(4-tert-butylphenoxy)benzene
CID 100945891

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol?
The IUPAC name of [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol (CID 58007706) is [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol.
What is the SMILES notation for [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol?
The canonical SMILES for [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol is CC(C)(C)c1ccc(Oc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2CO)cc1.
What is the InChIKey of [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol?
The InChIKey is RRZBSXVIRAMXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O3/c1-23(2,3)19-8-12-20(13-9-19)29-22-14-17(4-5-18(22)15-28)16-6-10-21(11-7-16)30-24(25,26)27/h4-14,28H,15H2,1-3H3.
What are the key properties of [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol?
[2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol has a molecular weight of 416.44 g/mol, XLogP of 6.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-tert-butylphenoxy)-4-[4-(trifluoromethoxy)phenyl]phenyl]methanol is sourced from PubChem (CID 58007706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).