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

C19H23FO3 — CID 139480316

IUPAC3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid
SMILESCc1cc(OCC2=C(C3CC3)CCC2)c(F)cc1CCC(=O)O
InChIInChI=1S/C19H23FO3/c1-12-9-18(17(20)10-14(12)7-8-19(21)22)23-11-15-3-2-4-16(15)13-5-6-13/h9-10,13H,2-8,11H2,1H3,(H,21,22)
InChIKeyWLEXWFYTYDJDOO-UHFFFAOYSA-N
MW318.39 g/mol
LogP4.42
Rot. Bonds7

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

3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid (PubChem CID 139480316) has the molecular formula C19H23FO3 and a molecular weight of 318.39 g/mol. Its IUPAC name is 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid
PubChem CID139480316
Molecular FormulaC19H23FO3
Molecular Weight318.39 g/mol
Exact Mass318.16
IUPAC Name3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid
SMILESCc1cc(OCC2=C(C3CC3)CCC2)c(F)cc1CCC(=O)O
InChIInChI=1S/C19H23FO3/c1-12-9-18(17(20)10-14(12)7-8-19(21)22)23-11-15-3-2-4-16(15)13-5-6-13/h9-10,13H,2-8,11H2,1H3,(H,21,22)
InChIKeyWLEXWFYTYDJDOO-UHFFFAOYSA-N
XLogP4.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[5-fluoro-4-[[2-(3-fluoro-4-methylphenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 162702670
3-[5-fluoro-4-[[2-(4-fluorophenyl)cyclopenten-1-yl]methoxy]-2-methylphenyl]propanoic acid
CID 139480362
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-2-methylphenyl]propanoic acid
CID 139480051
3-[4-[[2-(4-chloro-3-fluorophenyl)cyclopenten-1-yl]methoxy]-5-fluoro-2-methylphenyl]propanoic acid
CID 162702658
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-3-fluoro-2-(trifluoromethyl)phenyl]propanoic acid
CID 162702531
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-2-(1,1-difluoropropyl)-6-methylphenyl]propanoic acid
CID 139480830
3-[2-chloro-4-[(2-cyclobutylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
CID 139480430
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
CID 139480413
3-(4-chloro-5-fluoro-2-methylphenyl)propanoic acid
CID 84784993
5-(2-carboxyethyl)-2-fluoro-4-methylbenzoic acid
CID 117324857
3-[4-[[2-(2-bicyclo[3.1.0]hexanyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 139480433
2-[4-(difluoromethoxy)-5-fluoro-2-methylphenyl]acetic acid
CID 171031868

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid (CID 139480316) is 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid is Cc1cc(OCC2=C(C3CC3)CCC2)c(F)cc1CCC(=O)O.
What is the InChIKey of 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid?
The InChIKey is WLEXWFYTYDJDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO3/c1-12-9-18(17(20)10-14(12)7-8-19(21)22)23-11-15-3-2-4-16(15)13-5-6-13/h9-10,13H,2-8,11H2,1H3,(H,21,22).
What are the key properties of 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid?
3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid has a molecular weight of 318.39 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid is sourced from PubChem (CID 139480316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).