4-methyl-2,3-diphenylpentanoic acid

C18H20O2 — CID 13280236

IUPAC4-methyl-2,3-diphenylpentanoic acid
SMILESCC(C)C(c1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)16(14-9-5-3-6-10-14)17(18(19)20)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,19,20)
InChIKeyRVKZKEMZWHUECT-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.29
Rot. Bonds5

About 4-methyl-2,3-diphenylpentanoic acid

4-methyl-2,3-diphenylpentanoic acid (PubChem CID 13280236) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-methyl-2,3-diphenylpentanoic acid.

Molecular Properties

Compound Name4-methyl-2,3-diphenylpentanoic acid
PubChem CID13280236
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name4-methyl-2,3-diphenylpentanoic acid
SMILESCC(C)C(c1ccccc1)C(C(=O)O)c1ccccc1
InChIInChI=1S/C18H20O2/c1-13(2)16(14-9-5-3-6-10-14)17(18(19)20)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,19,20)
InChIKeyRVKZKEMZWHUECT-UHFFFAOYSA-N
XLogP4.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
2-phenyl-3-sulfanylbutanoic acid
CID 22460484
(3R)-4-methyl-3-phenylpentan-2-one
CID 7018943
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
2-(3-bromophenyl)-3-methylbutanoic acid
CID 23317028
(3-methyl-1,1-diphenylbutan-2-yl)benzene
CID 91598963
2-bromo-3-phenylbutanedioic acid
CID 18967008
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
1-hydroxy-4-methyl-3-phenylpentan-2-one
CID 46916077
2-phenylpropanoic acid;hydrate
CID 139796091

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,3-diphenylpentanoic acid?
The IUPAC name of 4-methyl-2,3-diphenylpentanoic acid (CID 13280236) is 4-methyl-2,3-diphenylpentanoic acid.
What is the SMILES notation for 4-methyl-2,3-diphenylpentanoic acid?
The canonical SMILES for 4-methyl-2,3-diphenylpentanoic acid is CC(C)C(c1ccccc1)C(C(=O)O)c1ccccc1.
What is the InChIKey of 4-methyl-2,3-diphenylpentanoic acid?
The InChIKey is RVKZKEMZWHUECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13(2)16(14-9-5-3-6-10-14)17(18(19)20)15-11-7-4-8-12-15/h3-13,16-17H,1-2H3,(H,19,20).
What are the key properties of 4-methyl-2,3-diphenylpentanoic acid?
4-methyl-2,3-diphenylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-diphenylpentanoic acid is sourced from PubChem (CID 13280236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).