2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid

C20H15F3O4 — CID 11326346

IUPAC2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc2cc(-c3cc(C(F)(F)F)ccc3OCC(=O)O)ccc2c1
InChIInChI=1S/C20H15F3O4/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)17-10-15(20(21,22)23)5-7-18(17)27-11-19(24)25/h2-10H,11H2,1H3,(H,24,25)
InChIKeyDKPKWQHAPUIMRV-UHFFFAOYSA-N
MW376.33 g/mol
LogP5.00
Rot. Bonds5

About 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid

2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 11326346) has the molecular formula C20H15F3O4 and a molecular weight of 376.33 g/mol. Its IUPAC name is 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid
PubChem CID11326346
Molecular FormulaC20H15F3O4
Molecular Weight376.33 g/mol
Exact Mass376.09
IUPAC Name2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid
SMILESCOc1ccc2cc(-c3cc(C(F)(F)F)ccc3OCC(=O)O)ccc2c1
InChIInChI=1S/C20H15F3O4/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)17-10-15(20(21,22)23)5-7-18(17)27-11-19(24)25/h2-10H,11H2,1H3,(H,24,25)
InChIKeyDKPKWQHAPUIMRV-UHFFFAOYSA-N
XLogP5.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid (CID 11326346) is 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid is COc1ccc2cc(-c3cc(C(F)(F)F)ccc3OCC(=O)O)ccc2c1.
What is the InChIKey of 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is DKPKWQHAPUIMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3O4/c1-26-16-6-4-12-8-14(3-2-13(12)9-16)17-10-15(20(21,22)23)5-7-18(17)27-11-19(24)25/h2-10H,11H2,1H3,(H,24,25).
What are the key properties of 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid?
2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 376.33 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxynaphthalen-2-yl)-4-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 11326346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).