potassium 2-phenoxyundecanoate

C17H25KO3 — CID 70350230

IUPACpotassium 2-phenoxyundecanoate
SMILESCCCCCCCCCC(Oc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C17H26O3.K/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15;/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyQZZLWXYGOSVAFD-UHFFFAOYSA-M
MW316.48 g/mol
LogP0.33
Rot. Bonds11

About potassium 2-phenoxyundecanoate

potassium 2-phenoxyundecanoate (PubChem CID 70350230) has the molecular formula C17H25KO3 and a molecular weight of 316.48 g/mol. Its IUPAC name is potassium 2-phenoxyundecanoate.

Molecular Properties

Compound Namepotassium 2-phenoxyundecanoate
PubChem CID70350230
Molecular FormulaC17H25KO3
Molecular Weight316.48 g/mol
Exact Mass316.14
IUPAC Namepotassium 2-phenoxyundecanoate
SMILESCCCCCCCCCC(Oc1ccccc1)C(=O)[O-].[K+]
InChIInChI=1S/C17H26O3.K/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15;/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19);/q;+1/p-1
InChIKeyQZZLWXYGOSVAFD-UHFFFAOYSA-M
XLogP0.33
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.48
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium 2-phenoxyoctadecanoate
CID 141463853
ethyl 2-phenoxydecanoate
CID 101000092
2-phenoxyhexadecanethioic S-acid
CID 142789333
(2R)-2-phenoxyhexanoic acid
CID 71401043
sodium 2-phenoxypentanoate
CID 59946136
2-(4-heptylsulfanylphenoxy)decanoate
CID 140615247
1,3-dioxopropan-2-yl 2-phenoxydecanoate
CID 141224781
4-(1-carboxydecoxy)benzoic acid
CID 23304106
1-phenoxyhexadecan-1-ol
CID 140512988
2-(2-phenoxyethoxy)tetradecanoic acid
CID 122611876
ethyl 2-(4-phenylphenoxy)heptanoate
CID 154127822
2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494

Frequently Asked Questions

What is the IUPAC name of potassium 2-phenoxyundecanoate?
The IUPAC name of potassium 2-phenoxyundecanoate (CID 70350230) is potassium 2-phenoxyundecanoate.
What is the SMILES notation for potassium 2-phenoxyundecanoate?
The canonical SMILES for potassium 2-phenoxyundecanoate is CCCCCCCCCC(Oc1ccccc1)C(=O)[O-].[K+].
What is the InChIKey of potassium 2-phenoxyundecanoate?
The InChIKey is QZZLWXYGOSVAFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H26O3.K/c1-2-3-4-5-6-7-11-14-16(17(18)19)20-15-12-9-8-10-13-15;/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19);/q;+1/p-1.
What are the key properties of potassium 2-phenoxyundecanoate?
potassium 2-phenoxyundecanoate has a molecular weight of 316.48 g/mol, XLogP of 0.33, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-phenoxyundecanoate is sourced from PubChem (CID 70350230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).