(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid

C25H23F3O3 — CID 11697625

IUPAC(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)c1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H23F3O3/c1-2-6-23(24(29)30)20-13-19(18-9-11-21(12-10-18)25(26,27)28)14-22(15-20)31-16-17-7-4-3-5-8-17/h3-5,7-15,23H,2,6,16H2,1H3,(H,29,30)/t23-/m1/s1
InChIKeyWTRVTSPOJCYIPS-HSZRJFAPSA-N
MW428.45 g/mol
LogP6.92
Rot. Bonds8

About (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid

(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid (PubChem CID 11697625) has the molecular formula C25H23F3O3 and a molecular weight of 428.45 g/mol. Its IUPAC name is (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid
PubChem CID11697625
Molecular FormulaC25H23F3O3
Molecular Weight428.45 g/mol
Exact Mass428.16
IUPAC Name(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid
SMILESCCC[C@@H](C(=O)O)c1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C25H23F3O3/c1-2-6-23(24(29)30)20-13-19(18-9-11-21(12-10-18)25(26,27)28)14-22(15-20)31-16-17-7-4-3-5-8-17/h3-5,7-15,23H,2,6,16H2,1H3,(H,29,30)/t23-/m1/s1
InChIKeyWTRVTSPOJCYIPS-HSZRJFAPSA-N
XLogP6.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.45
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid?
The IUPAC name of (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid (CID 11697625) is (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid.
What is the SMILES notation for (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid?
The canonical SMILES for (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid is CCC[C@@H](C(=O)O)c1cc(OCc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid?
The InChIKey is WTRVTSPOJCYIPS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H23F3O3/c1-2-6-23(24(29)30)20-13-19(18-9-11-21(12-10-18)25(26,27)28)14-22(15-20)31-16-17-7-4-3-5-8-17/h3-5,7-15,23H,2,6,16H2,1H3,(H,29,30)/t23-/m1/s1.
What are the key properties of (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid?
(2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid has a molecular weight of 428.45 g/mol, XLogP of 6.92, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]phenyl]pentanoic acid is sourced from PubChem (CID 11697625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).