2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid

C16H13F3O3 — CID 172650218

IUPAC2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-10-5-6-12(9-15(20)21)14(7-10)11-3-2-4-13(8-11)22-16(17,18)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRXGKDWAIOHAWEQ-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.19
Rot. Bonds4

About 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid (PubChem CID 172650218) has the molecular formula C16H13F3O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
PubChem CID172650218
Molecular FormulaC16H13F3O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESCc1ccc(CC(=O)O)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C16H13F3O3/c1-10-5-6-12(9-15(20)21)14(7-10)11-3-2-4-13(8-11)22-16(17,18)19/h2-8H,9H2,1H3,(H,20,21)
InChIKeyRXGKDWAIOHAWEQ-UHFFFAOYSA-N
XLogP4.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]ethanamine
CID 164888223
2-methyl-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228226
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
N-methyl-2-[2-[3-(trifluoromethoxy)phenyl]phenyl]acetamide
CID 46212144
2-[5-fluoro-2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089299
2-[2-oxo-3-[3-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091653
fermium;1-methyl-4-[3-(trifluoromethoxy)phenyl]benzene;2-(oxomethylamino)acetic acid
CID 166490365
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
2-[2-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118808116
[2-[3-(trifluoromethoxy)phenyl]phenyl]carbamic acid
CID 69313407
4-fluoro-5-methyl-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 172914115

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid (CID 172650218) is 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid is Cc1ccc(CC(=O)O)c(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The InChIKey is RXGKDWAIOHAWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O3/c1-10-5-6-12(9-15(20)21)14(7-10)11-3-2-4-13(8-11)22-16(17,18)19/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid?
2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid has a molecular weight of 310.27 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-[3-(trifluoromethoxy)phenyl]phenyl]acetic acid is sourced from PubChem (CID 172650218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).