3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid

C20H26O3 — CID 139480413

IUPAC3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2=C(C3CCCC3)CCC2)cc1
InChIInChI=1S/C20H26O3/c21-20(22)13-10-15-8-11-18(12-9-15)23-14-17-6-3-7-19(17)16-4-1-2-5-16/h8-9,11-12,16H,1-7,10,13-14H2,(H,21,22)
InChIKeyLBLVSGNCAHIEGP-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.75
Rot. Bonds7

About 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid

3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid (PubChem CID 139480413) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
PubChem CID139480413
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(OCC2=C(C3CCCC3)CCC2)cc1
InChIInChI=1S/C20H26O3/c21-20(22)13-10-15-8-11-18(12-9-15)23-14-17-6-3-7-19(17)16-4-1-2-5-16/h8-9,11-12,16H,1-7,10,13-14H2,(H,21,22)
InChIKeyLBLVSGNCAHIEGP-UHFFFAOYSA-N
XLogP4.75
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.75
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-[4-[(4-cyclopentyl-3,6-dihydro-2H-pyran-5-yl)methoxy]phenyl]propanoic acid
CID 139476601
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-2-methylphenyl]propanoic acid
CID 139480051
3-[4-[[2-(2-bicyclo[3.1.0]hexanyl)cyclopenten-1-yl]methoxy]phenyl]propanoic acid
CID 139480433
3-[2-chloro-4-[(2-cyclobutylcyclopenten-1-yl)methoxy]phenyl]propanoic acid
CID 139480430
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-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
3-[4-[(2-cyclopropylcyclopenten-1-yl)methoxy]-5-fluoro-2-methylphenyl]propanoic acid
CID 139480316
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
3-[4-[(3,3-dimethylcyclodecyl)methoxy]phenyl]propanoic acid
CID 143797232
3-[4-[[4-[[2-(2-phenylethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]phenyl]propanoic acid
CID 23159958
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid?
The IUPAC name of 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid (CID 139480413) is 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid is O=C(O)CCc1ccc(OCC2=C(C3CCCC3)CCC2)cc1.
What is the InChIKey of 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid?
The InChIKey is LBLVSGNCAHIEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c21-20(22)13-10-15-8-11-18(12-9-15)23-14-17-6-3-7-19(17)16-4-1-2-5-16/h8-9,11-12,16H,1-7,10,13-14H2,(H,21,22).
What are the key properties of 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid?
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid has a molecular weight of 314.43 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]phenyl]propanoic acid is sourced from PubChem (CID 139480413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).