3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid

C15H22O2 — CID 117341037

IUPAC3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCCc1cc(C)c(C)c(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22O2/c1-6-12-7-10(2)11(3)13(8-12)9-15(4,5)14(16)17/h7-8H,6,9H2,1-5H3,(H,16,17)
InChIKeyQOJMZUNNVVCWEQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.52
Rot. Bonds4

About 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid

3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid (PubChem CID 117341037) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
PubChem CID117341037
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid
SMILESCCc1cc(C)c(C)c(CC(C)(C)C(=O)O)c1
InChIInChI=1S/C15H22O2/c1-6-12-7-10(2)11(3)13(8-12)9-15(4,5)14(16)17/h7-8H,6,9H2,1-5H3,(H,16,17)
InChIKeyQOJMZUNNVVCWEQ-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-chloro-5-ethyl-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117395228
2-amino-3-(5-ethyl-2,3-dimethylphenyl)propanoic acid
CID 117316222
(5-ethyl-2,3-dimethylphenyl)methanamine
CID 117276223
N-[(5-ethyl-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117278206
5-(2-carboxy-2-methylpropyl)-2,4-dimethylbenzoic acid
CID 117379062
2-(4-ethyl-2,6-dimethylphenoxy)-2-methylpropanoic acid
CID 145439775
3-(5,6-dimethyl-1,3-benzodioxol-4-yl)-2,2-dimethylpropanoic acid
CID 117379069
1-(5-ethyl-2,3-dimethylphenyl)propan-2-ol
CID 117283284
2-(5-ethyl-2,3-dimethylphenyl)-2-oxoacetic acid
CID 117294721
3-(5-hydroxy-4-methyl-2-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461944
3-(6-ethyl-1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid
CID 117379075
3-(4-methoxy-2,5-dimethylphenyl)-2,2-dimethylpropanoic acid
CID 82291639

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid (CID 117341037) is 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid is CCc1cc(C)c(C)c(CC(C)(C)C(=O)O)c1.
What is the InChIKey of 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid?
The InChIKey is QOJMZUNNVVCWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-6-12-7-10(2)11(3)13(8-12)9-15(4,5)14(16)17/h7-8H,6,9H2,1-5H3,(H,16,17).
What are the key properties of 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid?
3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2,3-dimethylphenyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 117341037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).