5-(2-ethylphenoxy)pentanoic acid

C13H18O3 — CID 43351498

IUPAC5-(2-ethylphenoxy)pentanoic acid
SMILESCCc1ccccc1OCCCCC(=O)O
InChIInChI=1S/C13H18O3/c1-2-11-7-3-4-8-12(11)16-10-6-5-9-13(14)15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,14,15)
InChIKeyPDHOMPAIMWKGTJ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.88
Rot. Bonds7

About 5-(2-ethylphenoxy)pentanoic acid

5-(2-ethylphenoxy)pentanoic acid (PubChem CID 43351498) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 5-(2-ethylphenoxy)pentanoic acid.

Molecular Properties

Compound Name5-(2-ethylphenoxy)pentanoic acid
PubChem CID43351498
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name5-(2-ethylphenoxy)pentanoic acid
SMILESCCc1ccccc1OCCCCC(=O)O
InChIInChI=1S/C13H18O3/c1-2-11-7-3-4-8-12(11)16-10-6-5-9-13(14)15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,14,15)
InChIKeyPDHOMPAIMWKGTJ-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-ethylphenoxy)butanamide
CID 82040636
9-[2-(3-carboxypropoxy)phenoxy]nonanoic acid
CID 18795798
5-(2-ethylphenoxy)pentanehydrazide
CID 63569442
8-(2-ethylphenoxy)-8-oxooctanoic acid
CID 152546684
11-(2-methoxyphenoxy)undecanoic acid
CID 54541327
7-(2-methylphenoxy)heptanoic acid
CID 92930643
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
1-ethyl-2-heptoxybenzene
CID 22723794
7-(2-bromophenoxy)heptanoic acid
CID 39423766
10-[2-(9-carboxynonyl)-3-hexoxyphenyl]decanoic acid
CID 151006342
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278

Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenoxy)pentanoic acid?
The IUPAC name of 5-(2-ethylphenoxy)pentanoic acid (CID 43351498) is 5-(2-ethylphenoxy)pentanoic acid.
What is the SMILES notation for 5-(2-ethylphenoxy)pentanoic acid?
The canonical SMILES for 5-(2-ethylphenoxy)pentanoic acid is CCc1ccccc1OCCCCC(=O)O.
What is the InChIKey of 5-(2-ethylphenoxy)pentanoic acid?
The InChIKey is PDHOMPAIMWKGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-11-7-3-4-8-12(11)16-10-6-5-9-13(14)15/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,14,15).
What are the key properties of 5-(2-ethylphenoxy)pentanoic acid?
5-(2-ethylphenoxy)pentanoic acid has a molecular weight of 222.28 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenoxy)pentanoic acid is sourced from PubChem (CID 43351498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).