4-ethyl-5-(trifluoromethyl)benzene-1,3-diol

C9H9F3O2 — CID 85471321

IUPAC4-ethyl-5-(trifluoromethyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-2-6-7(9(10,11)12)3-5(13)4-8(6)14/h3-4,13-14H,2H2,1H3
InChIKeyKNSOMAAWMTUOTF-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.68
Rot. Bonds1

About 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol

4-ethyl-5-(trifluoromethyl)benzene-1,3-diol (PubChem CID 85471321) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-ethyl-5-(trifluoromethyl)benzene-1,3-diol
PubChem CID85471321
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name4-ethyl-5-(trifluoromethyl)benzene-1,3-diol
SMILESCCc1c(O)cc(O)cc1C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-2-6-7(9(10,11)12)3-5(13)4-8(6)14/h3-4,13-14H,2H2,1H3
InChIKeyKNSOMAAWMTUOTF-UHFFFAOYSA-N
XLogP2.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Cannabidiol
CID 644019
Cannabidivarin
CID 11601669
Hexylresorcinol
CID 3610
2,3-Dimethylphenol
CID 10687
2-Methylresorcinol
CID 11843
Orcinol
CID 10436
Cannabigerol
CID 5315659
1,3-Dihydroxynaphthalene
CID 8601
Trans-2,3',4,5'-tetrahydroxystilbene
CID 5281717
5-Pentadecylresorcinol
CID 76617
4-(1-Phenylethyl)-1,3-benzenediol
CID 11171903
Abnormal Cannabidiol
CID 89949

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol?
The IUPAC name of 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol (CID 85471321) is 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol.
What is the SMILES notation for 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol?
The canonical SMILES for 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol is CCc1c(O)cc(O)cc1C(F)(F)F.
What is the InChIKey of 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol?
The InChIKey is KNSOMAAWMTUOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-2-6-7(9(10,11)12)3-5(13)4-8(6)14/h3-4,13-14H,2H2,1H3.
What are the key properties of 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol?
4-ethyl-5-(trifluoromethyl)benzene-1,3-diol has a molecular weight of 206.16 g/mol, XLogP of 2.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(trifluoromethyl)benzene-1,3-diol is sourced from PubChem (CID 85471321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).