1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid

C14H18O3 — CID 82129224

IUPAC1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
SMILESCCc1ccc(OC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-11-5-7-12(8-6-11)17-14(13(15)16)9-3-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyLTCGMLKKWODWCS-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid

1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid (PubChem CID 82129224) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
PubChem CID82129224
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid
SMILESCCc1ccc(OC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C14H18O3/c1-2-11-5-7-12(8-6-11)17-14(13(15)16)9-3-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16)
InChIKeyLTCGMLKKWODWCS-UHFFFAOYSA-N
XLogP3.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid (CID 82129224) is 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid is CCc1ccc(OC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid?
The InChIKey is LTCGMLKKWODWCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-11-5-7-12(8-6-11)17-14(13(15)16)9-3-4-10-14/h5-8H,2-4,9-10H2,1H3,(H,15,16).
What are the key properties of 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid?
1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenoxy)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82129224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).