[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol

C14H11F3O3 — CID 163225602

IUPAC[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
SMILESOC(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8,13,18-19H
InChIKeyRKJYKACGKZMYGD-UHFFFAOYSA-N
MW284.23 g/mol
LogP3.48
Rot. Bonds3

About [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol

[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol (PubChem CID 163225602) has the molecular formula C14H11F3O3 and a molecular weight of 284.23 g/mol. Its IUPAC name is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol.

Molecular Properties

Compound Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
PubChem CID163225602
Molecular FormulaC14H11F3O3
Molecular Weight284.23 g/mol
Exact Mass284.07
IUPAC Name[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
SMILESOC(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C14H11F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8,13,18-19H
InChIKeyRKJYKACGKZMYGD-UHFFFAOYSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenoxy]phenol
CID 21466577
1-hydroxy-2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethanesulfonic acid
CID 13376815
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79016422
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanethioic S-acid
CID 20555453
azane;(2R)-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 162540820
2-hydroxy-5-[4-(trifluoromethyl)phenoxy]benzoic acid
CID 154115475
2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
CID 12905997
N-methyl-4-[4-(trifluoromethyl)phenoxy]benzamide
CID 146305988
(1R)-1-[4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]ethanol
CID 78944666
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908

Frequently Asked Questions

What is the IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol?
The IUPAC name of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol (CID 163225602) is [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol.
What is the SMILES notation for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol?
The canonical SMILES for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol is OC(O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol?
The InChIKey is RKJYKACGKZMYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3/c15-14(16,17)10-3-7-12(8-4-10)20-11-5-1-9(2-6-11)13(18)19/h1-8,13,18-19H.
What are the key properties of [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol?
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol has a molecular weight of 284.23 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol is sourced from PubChem (CID 163225602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).