2-(4-cyclopentylphenoxy)acetic acid

C13H16O3 — CID 23274257

IUPAC2-(4-cyclopentylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(C2CCCC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)9-16-12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,14,15)
InChIKeyGDGQYNBBEAWSMR-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.81
Rot. Bonds4

About 2-(4-cyclopentylphenoxy)acetic acid

2-(4-cyclopentylphenoxy)acetic acid (PubChem CID 23274257) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-cyclopentylphenoxy)acetic acid.

Molecular Properties

Compound Name2-(4-cyclopentylphenoxy)acetic acid
PubChem CID23274257
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name2-(4-cyclopentylphenoxy)acetic acid
SMILESO=C(O)COc1ccc(C2CCCC2)cc1
InChIInChI=1S/C13H16O3/c14-13(15)9-16-12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,14,15)
InChIKeyGDGQYNBBEAWSMR-UHFFFAOYSA-N
XLogP2.81
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-pyrrolidin-3-ylphenoxy)acetic acid
CID 115032579
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
4-[2-(4-cyclohexylphenoxy)ethoxy]benzoic acid
CID 22682606
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
1-cyclohexyl-4-(2-phenoxyethoxy)benzene
CID 14047825
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
1-(chloromethoxy)-4-cyclohexylbenzene
CID 166607753
2-[4-(cyclopentylcarbamoylamino)phenoxy]acetic acid
CID 63772718
2-(4-cyclohexylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 621407
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
2-(4-cycloheptylphenyl)acetic acid
CID 21484425
4-[2-(4-cyclohexylphenoxy)ethoxy]-2-hydroxybenzoic acid
CID 19857059

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylphenoxy)acetic acid?
The IUPAC name of 2-(4-cyclopentylphenoxy)acetic acid (CID 23274257) is 2-(4-cyclopentylphenoxy)acetic acid.
What is the SMILES notation for 2-(4-cyclopentylphenoxy)acetic acid?
The canonical SMILES for 2-(4-cyclopentylphenoxy)acetic acid is O=C(O)COc1ccc(C2CCCC2)cc1.
What is the InChIKey of 2-(4-cyclopentylphenoxy)acetic acid?
The InChIKey is GDGQYNBBEAWSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-13(15)9-16-12-7-5-11(6-8-12)10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H,14,15).
What are the key properties of 2-(4-cyclopentylphenoxy)acetic acid?
2-(4-cyclopentylphenoxy)acetic acid has a molecular weight of 220.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylphenoxy)acetic acid is sourced from PubChem (CID 23274257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).