3-ethyl-4-phenylpentanoic acid

C13H18O2 — CID 57075927

IUPAC3-ethyl-4-phenylpentanoic acid
SMILESCCC(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-11(9-13(14)15)10(2)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,14,15)
InChIKeyGXKMKSPQBUOTAM-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.29
Rot. Bonds5

About 3-ethyl-4-phenylpentanoic acid

3-ethyl-4-phenylpentanoic acid (PubChem CID 57075927) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethyl-4-phenylpentanoic acid.

Molecular Properties

Compound Name3-ethyl-4-phenylpentanoic acid
PubChem CID57075927
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name3-ethyl-4-phenylpentanoic acid
SMILESCCC(CC(=O)O)C(C)c1ccccc1
InChIInChI=1S/C13H18O2/c1-3-11(9-13(14)15)10(2)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,14,15)
InChIKeyGXKMKSPQBUOTAM-UHFFFAOYSA-N
XLogP3.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-phenylethyl)butanedioic acid
CID 2837676
3,4-diphenylhexanoic acid
CID 153127747
ethane;3-phenylpentanoic acid
CID 142147200
4-methyl-3-phenylpentanoic acid
CID 3249521
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
(4S,5S)-4-methyl-5-phenylhexan-2-one
CID 102392446
3-(2-phenylbutanoylamino)butanoic acid
CID 43240651
3-[methyl(propan-2-yl)amino]-3-phenylpropanoic acid
CID 63068759
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362
(3S)-3-[[[(1S)-1-phenylethyl]amino]methyl]pentanoic acid
CID 66666559
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-methyl-4-oxo-5,5-diphenylpentanoic acid
CID 107292902

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-phenylpentanoic acid?
The IUPAC name of 3-ethyl-4-phenylpentanoic acid (CID 57075927) is 3-ethyl-4-phenylpentanoic acid.
What is the SMILES notation for 3-ethyl-4-phenylpentanoic acid?
The canonical SMILES for 3-ethyl-4-phenylpentanoic acid is CCC(CC(=O)O)C(C)c1ccccc1.
What is the InChIKey of 3-ethyl-4-phenylpentanoic acid?
The InChIKey is GXKMKSPQBUOTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-11(9-13(14)15)10(2)12-7-5-4-6-8-12/h4-8,10-11H,3,9H2,1-2H3,(H,14,15).
What are the key properties of 3-ethyl-4-phenylpentanoic acid?
3-ethyl-4-phenylpentanoic acid has a molecular weight of 206.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-phenylpentanoic acid is sourced from PubChem (CID 57075927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).