[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate

C23H34O8 — CID 59464453

IUPAC[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate
SMILESCC(COCC(O)COC(=O)C(C)C)COC(=O)COc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C23H34O8/c1-15(2)22(26)18-6-8-20(9-7-18)29-14-21(25)30-11-17(5)10-28-12-19(24)13-31-23(27)16(3)4/h6-9,15-17,19,24H,10-14H2,1-5H3
InChIKeySUQMSYUULDFBMJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP2.66
Rot. Bonds14

About [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate

[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate (PubChem CID 59464453) has the molecular formula C23H34O8 and a molecular weight of 438.52 g/mol. Its IUPAC name is [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate
PubChem CID59464453
Molecular FormulaC23H34O8
Molecular Weight438.52 g/mol
Exact Mass438.23
IUPAC Name[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate
SMILESCC(COCC(O)COC(=O)C(C)C)COC(=O)COc1ccc(C(=O)C(C)C)cc1
InChIInChI=1S/C23H34O8/c1-15(2)22(26)18-6-8-20(9-7-18)29-14-21(25)30-11-17(5)10-28-12-19(24)13-31-23(27)16(3)4/h6-9,15-17,19,24H,10-14H2,1-5H3
InChIKeySUQMSYUULDFBMJ-UHFFFAOYSA-N
XLogP2.66
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate with MolForge

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Related Compounds

[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropyl] 3-phenylbutanoate
CID 59464454
2-methyl-1-(4-propoxyphenyl)propan-1-one
CID 595976
[2-hydroxy-3-[3-[[4-(1-methoxyethyl)phenyl]methoxy]-2-methylpropoxy]propyl] 2-methylpropanoate
CID 59464443
2-[4-(2-methylpropanoyl)phenoxy]acetonitrile
CID 82076680
2-methyl-1-(4-prop-2-ynoxyphenyl)propan-1-one
CID 169034886
4-[3-[2-(4-benzoylphenoxy)acetyl]oxy-2-hydroxypropoxy]butyl prop-2-enoate
CID 58385532
[3-[4-[(Z,2E)-2-ethylidenepent-3-enoyl]phenoxy]-2-hydroxypropyl] 5-methyl-4-oxohexanoate
CID 166979121
2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
CID 67570371
2-amino-1-[4-(2-methylprop-2-enoxy)phenyl]propan-1-one
CID 82341494
[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl] 2-(4-methylphenoxy)acetate
CID 21238579
[4-[2-[2-hydroxy-3-[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propoxy]propoxy]-2-oxoethoxy]phenyl]-(4-methylphenyl)iodanium
CID 20582153
3-methylbutyl 2-(4-propanoylphenoxy)acetate
CID 86914486

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate?
The IUPAC name of [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate (CID 59464453) is [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate.
What is the SMILES notation for [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate?
The canonical SMILES for [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate is CC(COCC(O)COC(=O)C(C)C)COC(=O)COc1ccc(C(=O)C(C)C)cc1.
What is the InChIKey of [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate?
The InChIKey is SUQMSYUULDFBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34O8/c1-15(2)22(26)18-6-8-20(9-7-18)29-14-21(25)30-11-17(5)10-28-12-19(24)13-31-23(27)16(3)4/h6-9,15-17,19,24H,10-14H2,1-5H3.
What are the key properties of [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate?
[2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate has a molecular weight of 438.52 g/mol, XLogP of 2.66, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-methyl-3-[2-[4-(2-methylpropanoyl)phenoxy]acetyl]oxypropoxy]propyl] 2-methylpropanoate is sourced from PubChem (CID 59464453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).