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

C15H11F3O3 — CID 171369386

IUPAC2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-2-10(8-11)12-6-9(7-14(20)21)4-5-13(12)19/h1-6,8,19H,7H2,(H,20,21)
InChIKeyRKYYRPZCFKVTCI-UHFFFAOYSA-N
MW296.24 g/mol
LogP3.71
Rot. Bonds3

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

2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (PubChem CID 171369386) has the molecular formula C15H11F3O3 and a molecular weight of 296.24 g/mol. Its IUPAC name is 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
PubChem CID171369386
Molecular FormulaC15H11F3O3
Molecular Weight296.24 g/mol
Exact Mass296.07
IUPAC Name2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-2-10(8-11)12-6-9(7-14(20)21)4-5-13(12)19/h1-6,8,19H,7H2,(H,20,21)
InChIKeyRKYYRPZCFKVTCI-UHFFFAOYSA-N
XLogP3.71
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-hydroxy-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369391
2-[3-[3,5-bis(trifluoromethyl)phenyl]phenyl]acetic acid
CID 118342919
2-[2-fluoro-4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134626810
2-[3,6-bis[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 134623875
2-[3-amino-2-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 134623990
2-[3-[3-[2-chloro-4-(trifluoromethyl)phenyl]phenoxy]phenyl]acetic acid
CID 59803462
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenol
CID 134627752
2-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetic acid
CID 105423982
2-[3-hydroxy-4-[[2-phenyl-5-(trifluoromethyl)benzoyl]amino]phenyl]acetic acid
CID 174513483
4-fluoro-3-[3-(trifluoromethyl)phenyl]benzoic acid
CID 52984137
2-[3,5-difluoro-6-[3-(trifluoromethyl)phenyl]-2-pyridinyl]acetic acid
CID 133089566
2-[2-amino-3-[3-(trifluoromethyl)phenyl]-4-pyridinyl]acetic acid
CID 119001070

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The IUPAC name of 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid (CID 171369386) is 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is O=C(O)Cc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
The InChIKey is RKYYRPZCFKVTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O3/c16-15(17,18)11-3-1-2-10(8-11)12-6-9(7-14(20)21)4-5-13(12)19/h1-6,8,19H,7H2,(H,20,21).
What are the key properties of 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid?
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid has a molecular weight of 296.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid is sourced from PubChem (CID 171369386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).