2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid

C14H20O3 — CID 59034872

IUPAC2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10(5-2)11-6-8-12(9-7-11)14(3,17)13(15)16/h6-10,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyHGDQDQZJYJCAAK-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.88
Rot. Bonds5

About 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid

2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid (PubChem CID 59034872) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
PubChem CID59034872
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid
SMILESCCC(CC)c1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C14H20O3/c1-4-10(5-2)11-6-8-12(9-7-11)14(3,17)13(15)16/h6-10,17H,4-5H2,1-3H3,(H,15,16)
InChIKeyHGDQDQZJYJCAAK-UHFFFAOYSA-N
XLogP2.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
2-(4-pentan-3-ylphenyl)propan-2-ol
CID 117295268
4-[4-(5-carboxy-5-methylhexan-3-yl)phenyl]-2,2-dimethylhexanoic acid
CID 90345851
2-hydroxy-2-(4-hydroxyphenyl)propanoic acid
CID 22056978
1-tert-butyl-4-pentan-3-ylbenzene;ethane;yttrium
CID 178166385
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
(2R)-2-hydroxy-2-phenylpropanoic acid
CID 736858
2-(4-chlorophenyl)-2-hydroxypropanoic acid
CID 10013044
2-hydroxy-2-(4-propoxyphenyl)propanoic acid
CID 61237802
2-hydroxy-2-methylpropanoic acid;2-hydroxy-2-phenylpropanoic acid
CID 70572731
2-(4-cyanophenyl)-2-hydroxypropanoic acid
CID 11513906
2-hydroxy-2-phenylacetic acid;2-hydroxy-2-phenylpropanoic acid
CID 22438373

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid (CID 59034872) is 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid is CCC(CC)c1ccc(C(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid?
The InChIKey is HGDQDQZJYJCAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-10(5-2)11-6-8-12(9-7-11)14(3,17)13(15)16/h6-10,17H,4-5H2,1-3H3,(H,15,16).
What are the key properties of 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid?
2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-pentan-3-ylphenyl)propanoic acid is sourced from PubChem (CID 59034872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).