2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid

C29H26F3NO4 — CID 69036506

IUPAC2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cc(OC(C)(C)C(=O)O)cc2ccccc12
InChIInChI=1S/C29H26F3NO4/c1-18-19(10-13-25(33-18)20-8-11-22(12-9-20)29(30,31)32)14-15-36-26-17-23(37-28(2,3)27(34)35)16-21-6-4-5-7-24(21)26/h4-13,16-17H,14-15H2,1-3H3,(H,34,35)
InChIKeyWRTIONCHYFTNNR-UHFFFAOYSA-N
MW509.52 g/mol
LogP7.09
Rot. Bonds8

About 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid

2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid (PubChem CID 69036506) has the molecular formula C29H26F3NO4 and a molecular weight of 509.52 g/mol. Its IUPAC name is 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid
PubChem CID69036506
Molecular FormulaC29H26F3NO4
Molecular Weight509.52 g/mol
Exact Mass509.18
IUPAC Name2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cc(OC(C)(C)C(=O)O)cc2ccccc12
InChIInChI=1S/C29H26F3NO4/c1-18-19(10-13-25(33-18)20-8-11-22(12-9-20)29(30,31)32)14-15-36-26-17-23(37-28(2,3)27(34)35)16-21-6-4-5-7-24(21)26/h4-13,16-17H,14-15H2,1-3H3,(H,34,35)
InChIKeyWRTIONCHYFTNNR-UHFFFAOYSA-N
XLogP7.09
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.52
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[4-[2-[4-cyclopropyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]ethoxy]naphthalen-2-yl]oxy-2-methylpropanoate
CID 69037604
2-[5-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]indol-1-yl]acetic acid
CID 22250824
2-methyl-2-[4-[2-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]amino]-2-oxoethyl]phenoxy]propanoic acid
CID 11305970
2-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-6-[4-(trifluoromethyl)phenyl]pyridine
CID 141113012
2-methyl-2-[2-methyl-4-[[[6-[4-(trifluoromethyl)phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]amino]methyl]phenoxy]propanoic acid
CID 90906710
2-methyl-2-[4-[3-[2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-yl]propoxy]phenoxy]propanoic acid
CID 23074271
5-methyl-4-(2-naphthalen-1-yloxyethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole
CID 151600448
2-methyl-2-[4-[2-[2-[4-(trifluoromethyl)phenyl]indazol-7-yl]ethoxy]phenoxy]propanoic acid
CID 11329192
3-[2-(2-phenylethoxy)-4-[2-[3-[4-(trifluoromethyl)phenyl]-1,2-oxazol-5-yl]ethoxy]phenyl]propanoic acid
CID 162599502
2-methyl-2-[4-[2-[5-methyl-2-(3-naphthalen-1-ylphenyl)-1,3-oxazol-4-yl]ethoxy]phenoxy]propanoic acid
CID 12966837
2-methyl-2-[2-methyl-4-[1-(methylamino)-1-[1-methyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]ethyl]phenoxy]propanoic acid
CID 69141852
ethyl 3-[3-ethoxy-4-[[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methoxy]phenyl]propanoate
CID 67072174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid?
The IUPAC name of 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid (CID 69036506) is 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid?
The canonical SMILES for 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)ccc1CCOc1cc(OC(C)(C)C(=O)O)cc2ccccc12.
What is the InChIKey of 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid?
The InChIKey is WRTIONCHYFTNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F3NO4/c1-18-19(10-13-25(33-18)20-8-11-22(12-9-20)29(30,31)32)14-15-36-26-17-23(37-28(2,3)27(34)35)16-21-6-4-5-7-24(21)26/h4-13,16-17H,14-15H2,1-3H3,(H,34,35).
What are the key properties of 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid?
2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid has a molecular weight of 509.52 g/mol, XLogP of 7.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[2-[2-methyl-6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]ethoxy]naphthalen-2-yl]oxypropanoic acid is sourced from PubChem (CID 69036506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).