3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid

C21H20ClFO3 — CID 139480419

IUPAC3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2=C(c3ccc(F)cc3)CCC2)cc1Cl
InChIInChI=1S/C21H20ClFO3/c22-20-12-18(10-6-15(20)7-11-21(24)25)26-13-16-2-1-3-19(16)14-4-8-17(23)9-5-14/h4-6,8-10,12H,1-3,7,11,13H2,(H,24,25)
InChIKeyFWXFONAQGFHVNZ-UHFFFAOYSA-N
MW374.84 g/mol
LogP5.51
Rot. Bonds7

About 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid

3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid (PubChem CID 139480419) has the molecular formula C21H20ClFO3 and a molecular weight of 374.84 g/mol. Its IUPAC name is 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
PubChem CID139480419
Molecular FormulaC21H20ClFO3
Molecular Weight374.84 g/mol
Exact Mass374.11
IUPAC Name3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2=C(c3ccc(F)cc3)CCC2)cc1Cl
InChIInChI=1S/C21H20ClFO3/c22-20-12-18(10-6-15(20)7-11-21(24)25)26-13-16-2-1-3-19(16)14-4-8-17(23)9-5-14/h4-6,8-10,12H,1-3,7,11,13H2,(H,24,25)
InChIKeyFWXFONAQGFHVNZ-UHFFFAOYSA-N
XLogP5.51
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.84
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-chloro-4-[(2-cyclobutylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
CID 139480430
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-[[5-(4-chlorophenyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
CID 151684417
3-[3,5-dibromo-4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-2-(trifluoromethyl)phenyl]propanoic acid
CID 162702575
3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 162702670
3-[4-[[2-(2-chlorophenyl)cyclopenten-1-yl]methoxy]-2-(3-fluoro-2-methylpent-1-en-3-yl)phenyl]propanoic acid
CID 139480000
3-[4-[[5,5-difluoro-2-(4-fluorophenyl)cyclohexen-1-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 139479820
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-2-methylphenyl]propanoic acid
CID 139480051
3-[4-[[2-(4-chlorophenyl)cyclopenten-1-yl]methoxy]-3-(4-methylsulfanylbutyl)phenyl]propanoic acid
CID 139480331
3-[2-(1,1-difluoroethyl)-4-[[2-[(2-fluorophenyl)methyl]cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 139479885
3-[4-[(2-benzylcyclohexen-1-yl)methoxy]-2-(1,1-difluoropropyl)phenyl]propanoic acid
CID 153340320

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid (CID 139480419) is 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCC2=C(c3ccc(F)cc3)CCC2)cc1Cl.
What is the InChIKey of 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid?
The InChIKey is FWXFONAQGFHVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClFO3/c22-20-12-18(10-6-15(20)7-11-21(24)25)26-13-16-2-1-3-19(16)14-4-8-17(23)9-5-14/h4-6,8-10,12H,1-3,7,11,13H2,(H,24,25).
What are the key properties of 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid?
3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid has a molecular weight of 374.84 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid is sourced from PubChem (CID 139480419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).