3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid

C23H24F2O3 — CID 162702670

IUPAC3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCc1ccc(C2=C(COc3cc(C)c(CCC(=O)O)cc3F)CCC2)cc1F
InChIInChI=1S/C23H24F2O3/c1-14-6-7-17(12-20(14)24)19-5-3-4-18(19)13-28-22-10-15(2)16(11-21(22)25)8-9-23(26)27/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,26,27)
InChIKeySWXJQXWQNOFENX-UHFFFAOYSA-N
MW386.44 g/mol
LogP5.62
Rot. Bonds7

About 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid

3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid (PubChem CID 162702670) has the molecular formula C23H24F2O3 and a molecular weight of 386.44 g/mol. Its IUPAC name is 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
PubChem CID162702670
Molecular FormulaC23H24F2O3
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCc1ccc(C2=C(COc3cc(C)c(CCC(=O)O)cc3F)CCC2)cc1F
InChIInChI=1S/C23H24F2O3/c1-14-6-7-17(12-20(14)24)19-5-3-4-18(19)13-28-22-10-15(2)16(11-21(22)25)8-9-23(26)27/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,26,27)
InChIKeySWXJQXWQNOFENX-UHFFFAOYSA-N
XLogP5.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 139480362
3-[4-[[2-(4-chloro-3-fluorophenyl)cyclopenten-1-yl]methoxy]-5-fluoro-2-methylphenyl]propanoic acid
CID 162702658
3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid
CID 139480316
3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 139480419
3-[4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-3-(4-methylsulfanylbutyl)phenyl]propanoic acid
CID 139480331
3-[3,5-difluoro-4-[[2-(5-fluoro-6-methoxy-3-pyridinyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 162702535
3-[4-[[2-(3-ethyl-4-methylphenyl)-5-fluoro-5-methylcyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139480260
3-[3,5-dibromo-4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
CID 162702575
4-[2,3-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]methoxy]phenyl]butan-2-one
CID 139480699
3-[4-[[5,5-difluoro-2-(4-fluorophenyl)cyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139479820
ethyl 3-[4-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-2,3-dimethylphenyl]propanoate
CID 153340325
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The IUPAC name of 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid (CID 162702670) is 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The canonical SMILES for 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid is Cc1ccc(C2=C(COc3cc(C)c(CCC(=O)O)cc3F)CCC2)cc1F.
What is the InChIKey of 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The InChIKey is SWXJQXWQNOFENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2O3/c1-14-6-7-17(12-20(14)24)19-5-3-4-18(19)13-28-22-10-15(2)16(11-21(22)25)8-9-23(26)27/h6-7,10-12H,3-5,8-9,13H2,1-2H3,(H,26,27).
What are the key properties of 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid has a molecular weight of 386.44 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid is sourced from PubChem (CID 162702670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).