3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid

C13H18O2 — CID 84674441

IUPAC3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)ccc1C
InChIInChI=1S/C13H18O2/c1-4-12-8-11(6-5-9(12)2)7-10(3)13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,14,15)
InChIKeyLKDYLIMPGSKNCN-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.82
Rot. Bonds4

About 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid

3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid (PubChem CID 84674441) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
PubChem CID84674441
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid
SMILESCCc1cc(CC(C)C(=O)O)ccc1C
InChIInChI=1S/C13H18O2/c1-4-12-8-11(6-5-9(12)2)7-10(3)13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,14,15)
InChIKeyLKDYLIMPGSKNCN-UHFFFAOYSA-N
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-ethyl-3-methylphenyl)-2-methylpropanoic acid
CID 117295148
(2R)-3-(3,4-dimethylphenyl)-2-methylpropanoic acid
CID 94240670
3-[4-(carboxymethyl)-3-methylphenyl]-2-methylpropanoic acid
CID 171338440
3-(4-chloro-3-methylphenyl)-2-methylpropanoic acid
CID 83703696
2-methyl-3-(4-methyl-3-methylsulfonylphenyl)propanoic acid
CID 117394356
3-[3,4-bis(methylsulfanyl)phenyl]-2-methylpropanoic acid
CID 117394680
2-methyl-3-(3-methyl-4-methylsulfonylphenyl)propanoic acid
CID 117394359
3-[3-(2-fluoroethyl)-4-hydroxyphenyl]-2-methylpropanoic acid
CID 146556898
3-(4-methoxy-3-propylphenyl)-2-methylpropanoic acid
CID 70957387
(2S)-3-(2-bromo-4-ethylphenyl)-2-methylpropanoic acid
CID 129411362
3-(4-ethylisoquinolin-7-yl)-2-methylpropanoic acid
CID 117360196
2-ethyl-4-[2-(3-ethyl-4-methylphenyl)ethyl]-1-methylbenzene
CID 123325932

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid?
The IUPAC name of 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid (CID 84674441) is 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid.
What is the SMILES notation for 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid?
The canonical SMILES for 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid is CCc1cc(CC(C)C(=O)O)ccc1C.
What is the InChIKey of 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid?
The InChIKey is LKDYLIMPGSKNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-12-8-11(6-5-9(12)2)7-10(3)13(14)15/h5-6,8,10H,4,7H2,1-3H3,(H,14,15).
What are the key properties of 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid?
3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid has a molecular weight of 206.28 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-methylphenyl)-2-methylpropanoic acid is sourced from PubChem (CID 84674441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).