3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid

C14H20O3 — CID 79303671

IUPAC3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc(C)cc1C
InChIInChI=1S/C14H20O3/c1-5-14(17,13(15)16)11(4)12-7-6-9(2)8-10(12)3/h6-8,11,17H,5H2,1-4H3,(H,15,16)
InChIKeyNMHCEQHQUCCYIE-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.63
Rot. Bonds4

About 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid

3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid (PubChem CID 79303671) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid
PubChem CID79303671
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid
SMILESCCC(O)(C(=O)O)C(C)c1ccc(C)cc1C
InChIInChI=1S/C14H20O3/c1-5-14(17,13(15)16)11(4)12-7-6-9(2)8-10(12)3/h6-8,11,17H,5H2,1-4H3,(H,15,16)
InChIKeyNMHCEQHQUCCYIE-UHFFFAOYSA-N
XLogP2.63
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,4-dimethylphenyl)ethylamino]butanoic acid
CID 115353088
2-[(2,4-dimethylbenzoyl)amino]-2-methylbutanoic acid
CID 79793464
ethyl 2-ethyl-2-hydroxy-3-(2-methylphenyl)butanoate
CID 79298581
ethyl 2-(2,4-dimethylphenyl)-3-methylbutanoate
CID 55120967
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79304173
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
1-(2,4-dimethylphenyl)-3,3-dimethylbutan-1-ol
CID 61100605
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
CID 83050855
2-[2-[1-(2,4-dimethylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113222453
3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
CID 82086631

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid?
The IUPAC name of 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid (CID 79303671) is 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid?
The canonical SMILES for 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid is CCC(O)(C(=O)O)C(C)c1ccc(C)cc1C.
What is the InChIKey of 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid?
The InChIKey is NMHCEQHQUCCYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-14(17,13(15)16)11(4)12-7-6-9(2)8-10(12)3/h6-8,11,17H,5H2,1-4H3,(H,15,16).
What are the key properties of 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid?
3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-2-ethyl-2-hydroxybutanoic acid is sourced from PubChem (CID 79303671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).