2-(2-ethylphenoxy)pentanoic acid

C13H18O3 — CID 83038631

IUPAC2-(2-ethylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccccc1CC)C(=O)O
InChIInChI=1S/C13H18O3/c1-3-7-12(13(14)15)16-11-9-6-5-8-10(11)4-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBTBOWFSOQOELGP-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.88
Rot. Bonds6

About 2-(2-ethylphenoxy)pentanoic acid

2-(2-ethylphenoxy)pentanoic acid (PubChem CID 83038631) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-(2-ethylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-ethylphenoxy)pentanoic acid
PubChem CID83038631
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-(2-ethylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccccc1CC)C(=O)O
InChIInChI=1S/C13H18O3/c1-3-7-12(13(14)15)16-11-9-6-5-8-10(11)4-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyBTBOWFSOQOELGP-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-fluorophenoxy)pentanoic acid
CID 40801009
2-[2-(1-hydroxypropyl)phenoxy]pentanoic acid
CID 83041368
ethyl 2-[2-(2-hydroxyethyl)phenoxy]pentanoate
CID 107711619
2-(2-ethylphenoxy)pentan-1-amine
CID 83044721
ethyl 2-[2-(2-aminopropyl)phenoxy]pentanoate
CID 83049068
(2S)-2-(2-ethylphenoxy)-N-[(2R)-pentan-2-yl]propanamide
CID 92684666
(2S)-3-(2-ethylphenyl)-2-(2-methylphenoxy)propanoic acid
CID 100529624
(2R)-2-(2-ethylphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 92684665
2-[2-[2-[2-(1-carboxypentoxy)phenoxy]ethoxy]phenoxy]hexanoic acid
CID 15369029
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
CID 83037756
2-(9H-carbazol-4-yloxy)pentanoic acid
CID 59571754
2-[2-(2-hydroxyethyl)phenoxy]pentanehydrazide
CID 107714182

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenoxy)pentanoic acid?
The IUPAC name of 2-(2-ethylphenoxy)pentanoic acid (CID 83038631) is 2-(2-ethylphenoxy)pentanoic acid.
What is the SMILES notation for 2-(2-ethylphenoxy)pentanoic acid?
The canonical SMILES for 2-(2-ethylphenoxy)pentanoic acid is CCCC(Oc1ccccc1CC)C(=O)O.
What is the InChIKey of 2-(2-ethylphenoxy)pentanoic acid?
The InChIKey is BTBOWFSOQOELGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-7-12(13(14)15)16-11-9-6-5-8-10(11)4-2/h5-6,8-9,12H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-ethylphenoxy)pentanoic acid?
2-(2-ethylphenoxy)pentanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenoxy)pentanoic acid is sourced from PubChem (CID 83038631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).