2-[4-(2-ethylbutyl)phenoxy]acetic acid

C14H20O3 — CID 70838941

IUPAC2-[4-(2-ethylbutyl)phenoxy]acetic acid
SMILESCCC(CC)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-3-11(4-2)9-12-5-7-13(8-6-12)17-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyZEBVKPBBVGLPEQ-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.13
Rot. Bonds7

About 2-[4-(2-ethylbutyl)phenoxy]acetic acid

2-[4-(2-ethylbutyl)phenoxy]acetic acid (PubChem CID 70838941) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[4-(2-ethylbutyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-ethylbutyl)phenoxy]acetic acid
PubChem CID70838941
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-[4-(2-ethylbutyl)phenoxy]acetic acid
SMILESCCC(CC)Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-3-11(4-2)9-12-5-7-13(8-6-12)17-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16)
InChIKeyZEBVKPBBVGLPEQ-UHFFFAOYSA-N
XLogP3.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
2-[4-[(2S)-2-(methylamino)propyl]phenoxy]acetic acid
CID 10236117
2-[4-(2-amino-3-hydroxypropyl)phenoxy]acetic acid
CID 170892009
2-[4-[2-(3-ethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529071
2-[4-[(2S)-2,3-diamino-3-oxopropyl]phenoxy]acetic acid
CID 170184313
2-[4-(1-phenylpropyl)phenoxy]acetic acid
CID 101304213
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
3-[4-(carboxymethoxy)phenyl]pentanoic acid
CID 101226373
2-(4-octylphenoxy)acetic acid
CID 27145
2-[4-[2-(2,3-dimethylpentanoylamino)ethyl]phenoxy]acetic acid
CID 120529051
2-[4-[2-(methylamino)ethyl]phenoxy]acetic acid
CID 22961946
2-ethylbutanoic acid;2-phenoxyacetic acid
CID 69343570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-ethylbutyl)phenoxy]acetic acid (CID 70838941) is 2-[4-(2-ethylbutyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-ethylbutyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-ethylbutyl)phenoxy]acetic acid is CCC(CC)Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-ethylbutyl)phenoxy]acetic acid?
The InChIKey is ZEBVKPBBVGLPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-3-11(4-2)9-12-5-7-13(8-6-12)17-10-14(15)16/h5-8,11H,3-4,9-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-(2-ethylbutyl)phenoxy]acetic acid?
2-[4-(2-ethylbutyl)phenoxy]acetic acid has a molecular weight of 236.31 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutyl)phenoxy]acetic acid is sourced from PubChem (CID 70838941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).