2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate

C16H22O5 — CID 59265217

IUPAC2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
SMILESCCCC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C16H22O5/c1-4-5-14(17)21-11-10-20-13-8-6-12(7-9-13)15(18)16(2,3)19/h6-9,19H,4-5,10-11H2,1-3H3
InChIKeySKXPSYJBTWXBTR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.36
Rot. Bonds8

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

2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate (PubChem CID 59265217) has the molecular formula C16H22O5 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate.

Molecular Properties

Compound Name2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
PubChem CID59265217
Molecular FormulaC16H22O5
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
SMILESCCCC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C16H22O5/c1-4-5-14(17)21-11-10-20-13-8-6-12(7-9-13)15(18)16(2,3)19/h6-9,19H,4-5,10-11H2,1-3H3
InChIKeySKXPSYJBTWXBTR-UHFFFAOYSA-N
XLogP2.36
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
CID 144680496
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
CID 151465505
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl 3-[2-[2-[2-[2-[2-[2-[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]-3-oxopropyl]sulfanylethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethylsulfanyl]propanoate
CID 146633198
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
4-O-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] 1-O-methyl (E)-but-2-enedioate
CID 152542710
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-[4-(3-hydroxy-3-methylcyclopropen-1-yl)phenoxy]ethyl 3-[[3-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]-3-oxopropyl]disulfanyl]propanoate
CID 146632962
4-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]-3-methyl-4-oxobut-2-enoic acid
CID 76585998

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate?
The IUPAC name of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate (CID 59265217) is 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate.
What is the SMILES notation for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate?
The canonical SMILES for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate is CCCC(=O)OCCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate?
The InChIKey is SKXPSYJBTWXBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O5/c1-4-5-14(17)21-11-10-20-13-8-6-12(7-9-13)15(18)16(2,3)19/h6-9,19H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate?
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate has a molecular weight of 294.35 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate is sourced from PubChem (CID 59265217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).