2-benzyl-3-ethyl-3-phenylpentanoic acid

C20H24O2 — CID 175010628

IUPAC2-benzyl-3-ethyl-3-phenylpentanoic acid
SMILESCCC(CC)(c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H24O2/c1-3-20(4-2,17-13-9-6-10-14-17)18(19(21)22)15-16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3,(H,21,22)
InChIKeySTKTXHPTRNULNZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.69
Rot. Bonds7

About 2-benzyl-3-ethyl-3-phenylpentanoic acid

2-benzyl-3-ethyl-3-phenylpentanoic acid (PubChem CID 175010628) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-benzyl-3-ethyl-3-phenylpentanoic acid.

Molecular Properties

Compound Name2-benzyl-3-ethyl-3-phenylpentanoic acid
PubChem CID175010628
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-benzyl-3-ethyl-3-phenylpentanoic acid
SMILESCCC(CC)(c1ccccc1)C(Cc1ccccc1)C(=O)O
InChIInChI=1S/C20H24O2/c1-3-20(4-2,17-13-9-6-10-14-17)18(19(21)22)15-16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3,(H,21,22)
InChIKeySTKTXHPTRNULNZ-UHFFFAOYSA-N
XLogP4.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-methyl-3,5-diphenylpentanoic acid
CID 141045464
(2S)-2-benzyl-3,3,3-trifluoropropanoic acid
CID 101484262
2-benzyl-3-butan-2-yl-4-methyl-3-(2-phenylethyl)hexanoic acid
CID 141045507
3-ethyl-1-(4-iodophenyl)-3-phenylpentan-2-amine
CID 65477714
ethyl (2R)-2-benzyl-3-ethyl-3-hydroxypentanoate
CID 102079184
3,3-diethyl-1-phenylpentan-2-ol
CID 141275578
2-[(3,5-dimethylphenyl)methyl]-3,3-diphenylbutanoic acid
CID 23221685
2-hydroxy-4-phenylbutane-1,2,3-tricarboxylic acid
CID 21197230
4-amino-3-ethyl-3-phenylhexanoic acid
CID 66096689
4-phenyl-2-tritylbutanoic acid
CID 174300549
2-benzyl-3-sulfanylpentanoic acid
CID 22648793
2-amino-3-benzyl-2-butoxycarbonylbutanedioic acid
CID 18628313

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethyl-3-phenylpentanoic acid?
The IUPAC name of 2-benzyl-3-ethyl-3-phenylpentanoic acid (CID 175010628) is 2-benzyl-3-ethyl-3-phenylpentanoic acid.
What is the SMILES notation for 2-benzyl-3-ethyl-3-phenylpentanoic acid?
The canonical SMILES for 2-benzyl-3-ethyl-3-phenylpentanoic acid is CCC(CC)(c1ccccc1)C(Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-benzyl-3-ethyl-3-phenylpentanoic acid?
The InChIKey is STKTXHPTRNULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O2/c1-3-20(4-2,17-13-9-6-10-14-17)18(19(21)22)15-16-11-7-5-8-12-16/h5-14,18H,3-4,15H2,1-2H3,(H,21,22).
What are the key properties of 2-benzyl-3-ethyl-3-phenylpentanoic acid?
2-benzyl-3-ethyl-3-phenylpentanoic acid has a molecular weight of 296.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethyl-3-phenylpentanoic acid is sourced from PubChem (CID 175010628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).