4-phenyl-2-propan-2-ylpentanoic acid

C14H20O2 — CID 67132291

IUPAC4-phenyl-2-propan-2-ylpentanoic acid
SMILESCC(CC(C(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C14H20O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,16)
InChIKeyLTFXFQJJCGGWGS-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.54
Rot. Bonds5

About 4-phenyl-2-propan-2-ylpentanoic acid

4-phenyl-2-propan-2-ylpentanoic acid (PubChem CID 67132291) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 4-phenyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name4-phenyl-2-propan-2-ylpentanoic acid
PubChem CID67132291
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name4-phenyl-2-propan-2-ylpentanoic acid
SMILESCC(CC(C(=O)O)C(C)C)c1ccccc1
InChIInChI=1S/C14H20O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,16)
InChIKeyLTFXFQJJCGGWGS-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium 3-carboxy-2-methyl-5-phenylhexanoate
CID 101273649
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2-amino-4-phenylpentanoic acid;hydrochloride
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3-[benzyl(hydroxy)phosphoryl]-4,4-dimethyl-2-(2-phenylpropyl)pentanoic acid
CID 19357795
3-methyl-5-phenylhexan-2-one
CID 22898138
3-phenylbutane-1,1-diol
CID 18417931
N'-methyl-2,3-bis(2-phenylpropyl)butanediamide
CID 21050041
1-methyl-6-phenylheptane-1,2,3-tricarboxylic acid
CID 140940953
4-(5-phenylhexan-3-yl)benzoic acid
CID 20813389
2-(aminomethyl)-3-phenylbutanoic acid
CID 69267267
2-(1-phenylethyl)butanedioic acid
CID 2837676
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 4-phenyl-2-propan-2-ylpentanoic acid (CID 67132291) is 4-phenyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 4-phenyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 4-phenyl-2-propan-2-ylpentanoic acid is CC(CC(C(=O)O)C(C)C)c1ccccc1.
What is the InChIKey of 4-phenyl-2-propan-2-ylpentanoic acid?
The InChIKey is LTFXFQJJCGGWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)13(14(15)16)9-11(3)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,15,16).
What are the key properties of 4-phenyl-2-propan-2-ylpentanoic acid?
4-phenyl-2-propan-2-ylpentanoic acid has a molecular weight of 220.31 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 67132291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).