2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol

C14H11F3O2 — CID 146557266

IUPAC2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C14H11F3O2/c1-19-11-5-2-9(3-6-11)12-7-4-10(8-13(12)18)14(15,16)17/h2-8,18H,1H3
InChIKeyNPZXLBJIXIPNNU-UHFFFAOYSA-N
MW268.23 g/mol
LogP4.09
Rot. Bonds2

About 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol

2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol (PubChem CID 146557266) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
PubChem CID146557266
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol
SMILESCOc1ccc(-c2ccc(C(F)(F)F)cc2O)cc1
InChIInChI=1S/C14H11F3O2/c1-19-11-5-2-9(3-6-11)12-7-4-10(8-13(12)18)14(15,16)17/h2-8,18H,1H3
InChIKeyNPZXLBJIXIPNNU-UHFFFAOYSA-N
XLogP4.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol (CID 146557266) is 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol is COc1ccc(-c2ccc(C(F)(F)F)cc2O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol?
The InChIKey is NPZXLBJIXIPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c1-19-11-5-2-9(3-6-11)12-7-4-10(8-13(12)18)14(15,16)17/h2-8,18H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol?
2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol has a molecular weight of 268.23 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 146557266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).