2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid

C15H22O4 — CID 83051898

IUPAC2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C15H22O4/c1-4-10-15(18,14(16)17)11(3)12-6-8-13(9-7-12)19-5-2/h6-9,11,18H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyPHIRRKDZCJBKSD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.80
Rot. Bonds7

About 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid

2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid (PubChem CID 83051898) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid.

Molecular Properties

Compound Name2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
PubChem CID83051898
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid
SMILESCCCC(O)(C(=O)O)C(C)c1ccc(OCC)cc1
InChIInChI=1S/C15H22O4/c1-4-10-15(18,14(16)17)11(3)12-6-8-13(9-7-12)19-5-2/h6-9,11,18H,4-5,10H2,1-3H3,(H,16,17)
InChIKeyPHIRRKDZCJBKSD-UHFFFAOYSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-ethyl-2-hydroxy-3-(4-propoxyphenyl)butanoate
CID 79303862
2-[1-(3-fluoro-4-methylphenyl)ethyl]-2-hydroxypentanoic acid
CID 83050855
ethyl 2-(4-ethoxyphenyl)propanoate
CID 105479148
2-ethyl-2-hydroxy-3-(6-methoxynaphthalen-2-yl)butanoic acid
CID 79304708
2-ethyl-2-hydroxy-3-[4-(2-methylpropyl)phenyl]butanoic acid
CID 79304173
ethyl 2-[1-(3,4-dimethylphenyl)ethyl]-2-hydroxypentanoate
CID 83050862
4-(4-ethoxyphenyl)heptan-4-ol
CID 114865928
1-(4-ethoxyphenyl)-1-phenylbutan-1-ol
CID 62786789
methyl 2-(4-ethoxyphenyl)propanoate
CID 62394502
2-(4-ethoxyphenyl)-2-methoxyacetic acid
CID 83224411
(2S)-2-amino-2-(4-ethoxyphenyl)acetic acid;hydrochloride
CID 162344172
3-(4-ethoxyphenyl)sulfanyl-2,2-dimethylpropanoic acid
CID 116853029

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The IUPAC name of 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid (CID 83051898) is 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid.
What is the SMILES notation for 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The canonical SMILES for 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid is CCCC(O)(C(=O)O)C(C)c1ccc(OCC)cc1.
What is the InChIKey of 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid?
The InChIKey is PHIRRKDZCJBKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-10-15(18,14(16)17)11(3)12-6-8-13(9-7-12)19-5-2/h6-9,11,18H,4-5,10H2,1-3H3,(H,16,17).
What are the key properties of 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid?
2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid has a molecular weight of 266.34 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethoxyphenyl)ethyl]-2-hydroxypentanoic acid is sourced from PubChem (CID 83051898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).