2-(2-phenoxyethyl)hexanoic acid

C14H20O3 — CID 154500059

IUPAC2-(2-phenoxyethyl)hexanoic acid
SMILESCCCCC(CCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-2-3-7-12(14(15)16)10-11-17-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,15,16)
InChIKeyRUCYGAPMAWNBIM-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.35
Rot. Bonds8

About 2-(2-phenoxyethyl)hexanoic acid

2-(2-phenoxyethyl)hexanoic acid (PubChem CID 154500059) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)hexanoic acid.

Molecular Properties

Compound Name2-(2-phenoxyethyl)hexanoic acid
PubChem CID154500059
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2-phenoxyethyl)hexanoic acid
SMILESCCCCC(CCOc1ccccc1)C(=O)O
InChIInChI=1S/C14H20O3/c1-2-3-7-12(14(15)16)10-11-17-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,15,16)
InChIKeyRUCYGAPMAWNBIM-UHFFFAOYSA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-5-phenoxypentanoic acid
CID 62936111
2-(pentylsulfanylmethyl)-4-phenoxybutanoic acid
CID 70388290
2-(2-aminoethyl)-4-phenoxybutanoic acid
CID 104680821
2-(3-aminopropyl)-5-phenoxypentanoic acid
CID 104681090
acetic acid;butoxybenzene
CID 162338086
2-ethoxycarbonyl-5-phenoxypentanoic acid
CID 54066512
2-ethylhexanoic acid;4-nonoxybenzoic acid
CID 68744350
2-(2-phenoxyethoxy)pentadecanoic acid
CID 122612494
2-(2-phenoxyethoxy)tetradecanoic acid
CID 122611876
phenyl 2-ethylhexanoate
CID 11106897
4-methoxy-2-(phenoxymethyl)butanoic acid
CID 117236995
CID 87702087
CID 87702087

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)hexanoic acid?
The IUPAC name of 2-(2-phenoxyethyl)hexanoic acid (CID 154500059) is 2-(2-phenoxyethyl)hexanoic acid.
What is the SMILES notation for 2-(2-phenoxyethyl)hexanoic acid?
The canonical SMILES for 2-(2-phenoxyethyl)hexanoic acid is CCCCC(CCOc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-phenoxyethyl)hexanoic acid?
The InChIKey is RUCYGAPMAWNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-2-3-7-12(14(15)16)10-11-17-13-8-5-4-6-9-13/h4-6,8-9,12H,2-3,7,10-11H2,1H3,(H,15,16).
What are the key properties of 2-(2-phenoxyethyl)hexanoic acid?
2-(2-phenoxyethyl)hexanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)hexanoic acid is sourced from PubChem (CID 154500059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).