ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate

C17H24O6 — CID 151465505

IUPACethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
SMILESCCOC(=O)C(C)OCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C17H24O6/c1-5-21-16(19)12(2)22-10-11-23-14-8-6-13(7-9-14)15(18)17(3,4)20/h6-9,12,20H,5,10-11H2,1-4H3
InChIKeyPJIXFQHNCNEZTG-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.99
Rot. Bonds9

About ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate

ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate (PubChem CID 151465505) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
PubChem CID151465505
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Nameethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
SMILESCCOC(=O)C(C)OCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C17H24O6/c1-5-21-16(19)12(2)22-10-11-23-14-8-6-13(7-9-14)15(18)17(3,4)20/h6-9,12,20H,5,10-11H2,1-4H3
InChIKeyPJIXFQHNCNEZTG-UHFFFAOYSA-N
XLogP1.99
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
2-[2-[1-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 58434140
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
CID 66648781
2-ethoxy-1-(4-propoxyphenyl)propan-1-one
CID 64540880
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate?
The IUPAC name of ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate (CID 151465505) is ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate.
What is the SMILES notation for ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate?
The canonical SMILES for ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate is CCOC(=O)C(C)OCCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate?
The InChIKey is PJIXFQHNCNEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O6/c1-5-21-16(19)12(2)22-10-11-23-14-8-6-13(7-9-14)15(18)17(3,4)20/h6-9,12,20H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate?
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate has a molecular weight of 324.37 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate is sourced from PubChem (CID 151465505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).