3-ethyl-2-methyl-2-phenylpentanoic acid

C14H20O2 — CID 158698282

IUPAC3-ethyl-2-methyl-2-phenylpentanoic acid
SMILESCCC(CC)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)14(3,13(15)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyIHFHJKXBODKDFN-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.47
Rot. Bonds5

About 3-ethyl-2-methyl-2-phenylpentanoic acid

3-ethyl-2-methyl-2-phenylpentanoic acid (PubChem CID 158698282) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 3-ethyl-2-methyl-2-phenylpentanoic acid.

Molecular Properties

Compound Name3-ethyl-2-methyl-2-phenylpentanoic acid
PubChem CID158698282
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name3-ethyl-2-methyl-2-phenylpentanoic acid
SMILESCCC(CC)C(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C14H20O2/c1-4-11(5-2)14(3,13(15)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,15,16)
InChIKeyIHFHJKXBODKDFN-UHFFFAOYSA-N
XLogP3.47
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methoxy-2-methyl-2-phenylpentanoic acid
CID 175507222
4-amino-2,3-dimethyl-2-phenylbutanoic acid
CID 143150739
3-amino-2-methyl-2-phenylbutanoic acid
CID 67114284
3-butyl-2-hexan-3-yl-2-phenylheptanoic acid;ethane
CID 143472526
2-[methyl(pentan-3-yl)amino]-2-phenylpropanoic acid
CID 114992793
2,3-diethyl-2-phenyloctanoic acid
CID 175036838
2-fluoro-3-hydroxy-2-phenylpentanoic acid
CID 19860351
(3S)-3-(4-chlorophenyl)-4-ethyl-3-methylhexan-2-one
CID 142471555
2,2-diethyl-3-methyl-3-phenylbutanoic acid
CID 68577866
lithium;sodium;2-ethyl-2-phenylpropanedioic acid;hydride
CID 174967816
2-carbonochloridoyl-2-phenylbutanoic acid
CID 82254336
4-[butan-2-yl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437636

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-2-phenylpentanoic acid?
The IUPAC name of 3-ethyl-2-methyl-2-phenylpentanoic acid (CID 158698282) is 3-ethyl-2-methyl-2-phenylpentanoic acid.
What is the SMILES notation for 3-ethyl-2-methyl-2-phenylpentanoic acid?
The canonical SMILES for 3-ethyl-2-methyl-2-phenylpentanoic acid is CCC(CC)C(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-ethyl-2-methyl-2-phenylpentanoic acid?
The InChIKey is IHFHJKXBODKDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-11(5-2)14(3,13(15)16)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 3-ethyl-2-methyl-2-phenylpentanoic acid?
3-ethyl-2-methyl-2-phenylpentanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-2-phenylpentanoic acid is sourced from PubChem (CID 158698282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).