2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

C18H17F3O3 — CID 11313738

IUPAC2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCC(C)c1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1
InChIInChI=1S/C18H17F3O3/c1-11(2)12-4-3-5-13(8-12)15-9-14(18(19,20)21)6-7-16(15)24-10-17(22)23/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyFDZVOMRKVVCYDG-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.96
Rot. Bonds5

About 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11313738) has the molecular formula C18H17F3O3 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11313738
Molecular FormulaC18H17F3O3
Molecular Weight338.33 g/mol
Exact Mass338.11
IUPAC Name2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCC(C)c1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1
InChIInChI=1S/C18H17F3O3/c1-11(2)12-4-3-5-13(8-12)15-9-14(18(19,20)21)6-7-16(15)24-10-17(22)23/h3-9,11H,10H2,1-2H3,(H,22,23)
InChIKeyFDZVOMRKVVCYDG-UHFFFAOYSA-N
XLogP4.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid (CID 11313738) is 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is CC(C)c1cccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)c1.
What is the InChIKey of 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is FDZVOMRKVVCYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3O3/c1-11(2)12-4-3-5-13(8-12)15-9-14(18(19,20)21)6-7-16(15)24-10-17(22)23/h3-9,11H,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 338.33 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propan-2-ylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11313738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).