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

C16H13F3O4 — CID 122534355

IUPAC2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESCOC(C(=O)O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O4/c1-22-14(15(20)21)12-4-2-3-11(9-12)10-5-7-13(8-6-10)23-16(17,18)19/h2-9,14H,1H3,(H,20,21)
InChIKeyBLELQFWLVDPNBO-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.02
Rot. Bonds5

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

2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (PubChem CID 122534355) has the molecular formula C16H13F3O4 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
PubChem CID122534355
Molecular FormulaC16H13F3O4
Molecular Weight326.27 g/mol
Exact Mass326.08
IUPAC Name2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
SMILESCOC(C(=O)O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C16H13F3O4/c1-22-14(15(20)21)12-4-2-3-11(9-12)10-5-7-13(8-6-10)23-16(17,18)19/h2-9,14H,1H3,(H,20,21)
InChIKeyBLELQFWLVDPNBO-UHFFFAOYSA-N
XLogP4.02
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[3-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 176514336
[2-hydroxy-1-[3-[4-(trifluoromethoxy)phenyl]phenyl]ethyl] acetate
CID 162602245
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoic acid
CID 66912789
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
2-methoxy-2-(3-methylsulfonyloxyphenyl)acetic acid
CID 23034305
1-(3-methyl-1-phenylbutoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 141128245
1-(difluoromethoxy)-3-[4-(trifluoromethoxy)phenyl]benzene
CID 134622409
(2R)-2-(3-aminophenyl)-2-methoxyacetic acid
CID 67007354
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
3-(3-methoxyphenyl)imino-2-[4-[4-(trifluoromethoxy)phenyl]phenyl]butanoic acid
CID 170432238
(2R)-2-ethoxy-2-[4-(trifluoromethoxy)phenyl]acetic acid
CID 97052403

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The IUPAC name of 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid (CID 122534355) is 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is COC(C(=O)O)c1cccc(-c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
The InChIKey is BLELQFWLVDPNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O4/c1-22-14(15(20)21)12-4-2-3-11(9-12)10-5-7-13(8-6-10)23-16(17,18)19/h2-9,14H,1H3,(H,20,21).
What are the key properties of 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid?
2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid has a molecular weight of 326.27 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid is sourced from PubChem (CID 122534355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).