4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol

C13H11F3O2 — CID 71198618

IUPAC4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(Oc2ccc(C(F)(F)F)cc2)C=C1
InChIInChI=1S/C13H11F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-7,12,17H,8H2
InChIKeyJEMJJSCZUWVBBE-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.85
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol

4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol (PubChem CID 71198618) has the molecular formula C13H11F3O2 and a molecular weight of 256.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol
PubChem CID71198618
Molecular FormulaC13H11F3O2
Molecular Weight256.22 g/mol
Exact Mass256.07
IUPAC Name4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol
SMILESOC1=CCC(Oc2ccc(C(F)(F)F)cc2)C=C1
InChIInChI=1S/C13H11F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-7,12,17H,8H2
InChIKeyJEMJJSCZUWVBBE-UHFFFAOYSA-N
XLogP3.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 60880462
4-[[4-hydroxy-1-(4-hydroxycyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-bis(4-hydroxyphenyl)methyl]phenol
CID 173310123
4-[4-(trifluoromethyl)phenoxy]cyclohexan-1-amine
CID 18460866
2-amino-5-[4-(trifluoromethyl)phenoxy]cyclopentan-1-ol
CID 19850274
4-fluorocyclohexa-1,5-dien-1-ol
CID 118312270
2-[4-(trifluoromethyl)phenoxy]cyclopentan-1-amine
CID 83488188
2-[[4-[4-(trifluoromethyl)phenoxy]cyclohexa-2,4-diene-1-carbonyl]amino]acetic acid
CID 163226726
4-(trifluoromethyl)(18F)phenol
CID 71660610
2-[4-(trifluoromethyl)phenoxy]azepan-4-ol
CID 70544647
bis[4-(trifluoromethyl)phenoxy]borinic acid
CID 174972605
4-[4-(trifluoromethyl)phenoxy]azepane
CID 63904061
(3S)-3-[4-(trifluoromethyl)phenoxy]pyrrolidine-1-carboxylic acid
CID 175135309

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol (CID 71198618) is 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol is OC1=CCC(Oc2ccc(C(F)(F)F)cc2)C=C1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol?
The InChIKey is JEMJJSCZUWVBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3O2/c14-13(15,16)9-1-5-11(6-2-9)18-12-7-3-10(17)4-8-12/h1-7,12,17H,8H2.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol?
4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol has a molecular weight of 256.22 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 71198618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).