2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid

C17H15F3O3 — CID 177379478

IUPAC2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-2-23-15-8-7-13(10-14(15)17(18,19)20)12-5-3-11(4-6-12)9-16(21)22/h3-8,10H,2,9H2,1H3,(H,21,22)
InChIKeyHMWMMKXREPMCGY-UHFFFAOYSA-N
MW324.30 g/mol
LogP4.40
Rot. Bonds5

About 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid

2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 177379478) has the molecular formula C17H15F3O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID177379478
Molecular FormulaC17H15F3O3
Molecular Weight324.30 g/mol
Exact Mass324.10
IUPAC Name2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESCCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F
InChIInChI=1S/C17H15F3O3/c1-2-23-15-8-7-13(10-14(15)17(18,19)20)12-5-3-11(4-6-12)9-16(21)22/h3-8,10H,2,9H2,1H3,(H,21,22)
InChIKeyHMWMMKXREPMCGY-UHFFFAOYSA-N
XLogP4.40
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Olopatadine
CID 5281071
6-Methoxy-2-naphthylacetic acid
CID 32176
Amg-837
CID 46854655
Benzeneacetic acid, 4-ethoxy-
CID 78631
3-(4-Benzyloxyphenyl)propionic acid
CID 561372
Acetic acid, (p-butoxyphenyl)-
CID 78304
4-Benzyloxyphenylacetic acid
CID 81033
4'-(Octyloxy)-[1,1'-biphenyl]-4-carboxylic acid
CID 2802556
Tug-891
CID 57522038
(E)-3-[3-(3-methylbut-2-enyl)-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoic acid
CID 9947201
Furofenac
CID 42091
4'-Methoxy-biphenyl-3-carboxylic acid
CID 1307667

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 177379478) is 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid is CCOc1ccc(-c2ccc(CC(=O)O)cc2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is HMWMMKXREPMCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O3/c1-2-23-15-8-7-13(10-14(15)17(18,19)20)12-5-3-11(4-6-12)9-16(21)22/h3-8,10H,2,9H2,1H3,(H,21,22).
What are the key properties of 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 324.30 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-ethoxy-3-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 177379478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).