2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid

C15H22O2 — CID 155645520

IUPAC2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid
SMILESCCC(C)(CC(C)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H22O2/c1-5-15(4,14(16)17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,17)
InChIKeyXEYZZOVFBPOEIQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.99
Rot. Bonds5

About 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid

2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid (PubChem CID 155645520) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid
PubChem CID155645520
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid
SMILESCCC(C)(CC(C)c1ccc(C)cc1)C(=O)O
InChIInChI=1S/C15H22O2/c1-5-15(4,14(16)17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,17)
InChIKeyXEYZZOVFBPOEIQ-UHFFFAOYSA-N
XLogP3.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-2-methyl-4-[4-(1,1,1-trifluoropropan-2-yl)phenyl]pentanoic acid
CID 155645487
2-ethyl-2-methyl-4-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyphenyl]pentanoic acid
CID 155645481
2-ethyl-2-methyl-4-[4-(3,3,3-trifluoro-2-methylpropanoyl)oxyphenyl]pentanoic acid
CID 155645480
2-methyl-4-(4-methylphenyl)pentan-2-ol
CID 11041610
2-[2-(4-tert-butylphenyl)propyl]-2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
CID 155645513
N,2-dimethyl-4-(4-methylphenyl)pentan-2-amine
CID 164863400
2-methyl-2-[[(4-propan-2-ylphenyl)sulfonylamino]methyl]butanoic acid
CID 75496479
hydroxymethyl 2-ethyl-2-methyl-4-pyridin-4-ylpentanoate
CID 131972247
ethane;2-methyl-2-[(4-propan-2-ylphenoxy)methyl]butanoic acid
CID 142270004
(1R,2S)-2-methyl-1-(4-methylphenyl)butane-1,2-diol
CID 54566569
(6S)-4-ethyl-2-methyl-6-(4-methylphenyl)heptan-2-ol
CID 126614779
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid?
The IUPAC name of 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid (CID 155645520) is 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid.
What is the SMILES notation for 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid?
The canonical SMILES for 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid is CCC(C)(CC(C)c1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid?
The InChIKey is XEYZZOVFBPOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-15(4,14(16)17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,17).
What are the key properties of 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid?
2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid has a molecular weight of 234.34 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-4-(4-methylphenyl)pentanoic acid is sourced from PubChem (CID 155645520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).