4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid

C14H20O3 — CID 112511294

IUPAC4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid
SMILESCCC(CCOc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-12(14(15)16)7-8-17-13-6-5-10(2)9-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyOJLRXSFMWRZKJF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.18
Rot. Bonds6

About 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid

4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid (PubChem CID 112511294) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid
PubChem CID112511294
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid
SMILESCCC(CCOc1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H20O3/c1-4-12(14(15)16)7-8-17-13-6-5-10(2)9-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16)
InChIKeyOJLRXSFMWRZKJF-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-(2,4-dimethylphenoxy)-2-(ethylamino)butanoate
CID 63038782
1-(3-bromobutoxy)-2,4-dimethylbenzene
CID 141270255
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]pentanoic acid
CID 43630685
(2R)-2-[3-(2,4-dimethylphenoxy)propanoylamino]-3-hydroxypropanoic acid
CID 80750754
methyl 4-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039713
2-[2-(2,4-dimethylphenoxy)ethylamino]acetic acid
CID 94684404
ethyl (2R)-5-(2,5-dimethylphenoxy)-2-ethylpentanoate
CID 101154521
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
1-(2-ethoxyethoxy)-2,4-dimethylbenzene
CID 60644510
5-(3-methyl-4-octoxyphenyl)-2-propylpentanoic acid
CID 142267675
(2S)-2-amino-4-(4-fluoro-2-methylphenoxy)butanoic acid
CID 58987438

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid?
The IUPAC name of 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid (CID 112511294) is 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid is CCC(CCOc1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid?
The InChIKey is OJLRXSFMWRZKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-12(14(15)16)7-8-17-13-6-5-10(2)9-11(13)3/h5-6,9,12H,4,7-8H2,1-3H3,(H,15,16).
What are the key properties of 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid?
4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-2-ethylbutanoic acid is sourced from PubChem (CID 112511294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).