2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid

C16H22O3 — CID 143002013

IUPAC2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(OCCC2CCCC2)cc1
InChIInChI=1S/C16H22O3/c1-12(16(17)18)14-6-8-15(9-7-14)19-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRBSLTPMOXUYOBG-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.83
Rot. Bonds6

About 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid

2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid (PubChem CID 143002013) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
PubChem CID143002013
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid
SMILESCC(C(=O)O)c1ccc(OCCC2CCCC2)cc1
InChIInChI=1S/C16H22O3/c1-12(16(17)18)14-6-8-15(9-7-14)19-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)
InChIKeyRBSLTPMOXUYOBG-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 112512140
2-[[4-(1-carboxyethyl)phenoxy]methyl]cyclohexane-1-carboxylic acid
CID 12832500
N-[4-(2-cyclohexylethoxy)phenyl]-4-propan-2-ylbenzamide
CID 17177481
1-[4-(2-cyclohexylethoxy)phenyl]propan-1-amine
CID 54793709
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
2-[4-(methoxymethoxy)phenyl]propanoic acid
CID 117046311
N-[4-(2-cyclohexylethoxy)phenyl]propanamide
CID 17137644
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-[4-[3-(1-hydroxypropan-2-ylamino)propoxy]phenyl]propanoic acid
CID 67895502
4-(2-cyclobutylethoxy)-2-methylbenzoic acid
CID 106200438
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid (CID 143002013) is 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid is CC(C(=O)O)c1ccc(OCCC2CCCC2)cc1.
What is the InChIKey of 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid?
The InChIKey is RBSLTPMOXUYOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-12(16(17)18)14-6-8-15(9-7-14)19-11-10-13-4-2-3-5-13/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid?
2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyclopentylethoxy)phenyl]propanoic acid is sourced from PubChem (CID 143002013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).