4-hydroxy-2-methyl-5-phenylpentanoic acid

C12H16O3 — CID 57472998

IUPAC4-hydroxy-2-methyl-5-phenylpentanoic acid
SMILESCC(CC(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKeyATNQYAAZOCLXBZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.70
Rot. Bonds5

About 4-hydroxy-2-methyl-5-phenylpentanoic acid

4-hydroxy-2-methyl-5-phenylpentanoic acid (PubChem CID 57472998) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-hydroxy-2-methyl-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-hydroxy-2-methyl-5-phenylpentanoic acid
PubChem CID57472998
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name4-hydroxy-2-methyl-5-phenylpentanoic acid
SMILESCC(CC(O)Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H16O3/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15)
InChIKeyATNQYAAZOCLXBZ-UHFFFAOYSA-N
XLogP1.70
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methyl-3-phenylpropanoic acid
CID 90856303
calcium 2-methyl-3-phenylpropanoic acid
CID 51348696
2-methyl-4-nitroso-5-phenylpentanoic acid
CID 123427614
2-hydroxy-4-methylpentanoic acid;2-hydroxy-3-phenylpropanoic acid
CID 69118596
2,4-dimethyl-6-phenylhexanoic acid
CID 174481116
oxalic acid;1-phenylpropan-2-ol
CID 162336088
2-benzyl-4-methylpentanoic acid
CID 15416243
2-methyl-4-phenylbutanoic acid
CID 66896591
2-deuterio-2-methyl-3-phenylpropanoic acid
CID 164888820
CID 20537348
CID 20537348
1,6-diphenylhexane-2,5-diol
CID 15072586
2-hydroxy-4-methyl-1-phenylpentan-3-one;2-methylpropanoic acid
CID 174968865

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-methyl-5-phenylpentanoic acid?
The IUPAC name of 4-hydroxy-2-methyl-5-phenylpentanoic acid (CID 57472998) is 4-hydroxy-2-methyl-5-phenylpentanoic acid.
What is the SMILES notation for 4-hydroxy-2-methyl-5-phenylpentanoic acid?
The canonical SMILES for 4-hydroxy-2-methyl-5-phenylpentanoic acid is CC(CC(O)Cc1ccccc1)C(=O)O.
What is the InChIKey of 4-hydroxy-2-methyl-5-phenylpentanoic acid?
The InChIKey is ATNQYAAZOCLXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9(12(14)15)7-11(13)8-10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3,(H,14,15).
What are the key properties of 4-hydroxy-2-methyl-5-phenylpentanoic acid?
4-hydroxy-2-methyl-5-phenylpentanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-methyl-5-phenylpentanoic acid is sourced from PubChem (CID 57472998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).