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

C22H22F2O3 — CID 139480362

IUPAC3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCc1cc(OCC2=C(c3ccc(F)cc3)CCC2)c(F)cc1CCC(=O)O
InChIInChI=1S/C22H22F2O3/c1-14-11-21(20(24)12-16(14)7-10-22(25)26)27-13-17-3-2-4-19(17)15-5-8-18(23)9-6-15/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,25,26)
InChIKeyBSAOULWGSSLKAL-UHFFFAOYSA-N
MW372.41 g/mol
LogP5.31
Rot. Bonds7

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

3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid (PubChem CID 139480362) has the molecular formula C22H22F2O3 and a molecular weight of 372.41 g/mol. Its IUPAC name is 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
PubChem CID139480362
Molecular FormulaC22H22F2O3
Molecular Weight372.41 g/mol
Exact Mass372.15
IUPAC Name3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
SMILESCc1cc(OCC2=C(c3ccc(F)cc3)CCC2)c(F)cc1CCC(=O)O
InChIInChI=1S/C22H22F2O3/c1-14-11-21(20(24)12-16(14)7-10-22(25)26)27-13-17-3-2-4-19(17)15-5-8-18(23)9-6-15/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,25,26)
InChIKeyBSAOULWGSSLKAL-UHFFFAOYSA-N
XLogP5.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.41
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 162702670
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-[[5,5-difluoro-2-(4-fluorophenyl)cyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139479820
3-[4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-3-(4-methylsulfanylbutyl)phenyl]propanoic acid
CID 139480331
3-[3,5-dibromo-4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
CID 162702575
3-[3,5-difluoro-4-[[2-(5-fluoro-6-methoxy-3-pyridinyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 162702535
4-[2,3-dimethyl-4-[[2-[4-(trifluoromethyl)phenyl]cyclopenten-1-yl]methoxy]phenyl]butan-2-one
CID 139480699
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
5-ethyl-2-[[2-(4-ethylphenyl)cyclopenten-1-yl]methoxy]-1,3-difluorobenzene
CID 162702604

Frequently Asked Questions

What is the IUPAC name of 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The IUPAC name of 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid (CID 139480362) is 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The canonical SMILES for 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid is Cc1cc(OCC2=C(c3ccc(F)cc3)CCC2)c(F)cc1CCC(=O)O.
What is the InChIKey of 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
The InChIKey is BSAOULWGSSLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2O3/c1-14-11-21(20(24)12-16(14)7-10-22(25)26)27-13-17-3-2-4-19(17)15-5-8-18(23)9-6-15/h5-6,8-9,11-12H,2-4,7,10,13H2,1H3,(H,25,26).
What are the key properties of 3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid?
3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid has a molecular weight of 372.41 g/mol, XLogP of 5.31, 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-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid is sourced from PubChem (CID 139480362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).