2-hydroxy-2-(4-propoxyphenyl)propanoic acid

C12H16O4 — CID 61237802

IUPAC2-hydroxy-2-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-3-8-16-10-6-4-9(5-7-10)12(2,15)11(13)14/h4-7,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyBVNXLUUEQAMFNM-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.77
Rot. Bonds5

About 2-hydroxy-2-(4-propoxyphenyl)propanoic acid

2-hydroxy-2-(4-propoxyphenyl)propanoic acid (PubChem CID 61237802) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-2-(4-propoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-(4-propoxyphenyl)propanoic acid
PubChem CID61237802
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-hydroxy-2-(4-propoxyphenyl)propanoic acid
SMILESCCCOc1ccc(C(C)(O)C(=O)O)cc1
InChIInChI=1S/C12H16O4/c1-3-8-16-10-6-4-9(5-7-10)12(2,15)11(13)14/h4-7,15H,3,8H2,1-2H3,(H,13,14)
InChIKeyBVNXLUUEQAMFNM-UHFFFAOYSA-N
XLogP1.77
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-hydroxy-2-[4-(2-methoxyethoxy)phenyl]propanoic acid
CID 70114787
ethyl 2-ethyl-3-hydroxy-3-(4-propoxyphenyl)butanoate
CID 62394724
2-(4-propoxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoic acid
CID 60998457
1-(2-hydroperoxypropan-2-yl)-4-propoxybenzene
CID 11481238
1-(4-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 62795916
tert-butyl N-[1-hydroxy-1-(4-propoxyphenyl)ethyl]carbamate
CID 174717157
2-amino-2-(4-propoxyphenyl)propan-1-ol
CID 61056640
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-propoxybenzamide
CID 103933503
(2S)-2-methyl-2-(4-propoxyphenyl)butanedioate
CID 7027575
3-oxo-3-(4-propoxyphenyl)propanoic acid
CID 170886903
2-hydroxy-2-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 101487578
2-(4-tert-butylphenyl)-3-(4-propoxyphenyl)propanoic acid
CID 67490583

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(4-propoxyphenyl)propanoic acid?
The IUPAC name of 2-hydroxy-2-(4-propoxyphenyl)propanoic acid (CID 61237802) is 2-hydroxy-2-(4-propoxyphenyl)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-(4-propoxyphenyl)propanoic acid?
The canonical SMILES for 2-hydroxy-2-(4-propoxyphenyl)propanoic acid is CCCOc1ccc(C(C)(O)C(=O)O)cc1.
What is the InChIKey of 2-hydroxy-2-(4-propoxyphenyl)propanoic acid?
The InChIKey is BVNXLUUEQAMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-3-8-16-10-6-4-9(5-7-10)12(2,15)11(13)14/h4-7,15H,3,8H2,1-2H3,(H,13,14).
What are the key properties of 2-hydroxy-2-(4-propoxyphenyl)propanoic acid?
2-hydroxy-2-(4-propoxyphenyl)propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(4-propoxyphenyl)propanoic acid is sourced from PubChem (CID 61237802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).