10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate

C26H34O6 — CID 123268996

IUPAC10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCCCCCCCCCCOC(=O)C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C26H34O6/c27-23(21-15-9-7-10-16-21)25(29)31-19-13-5-3-1-2-4-6-14-20-32-26(30)24(28)22-17-11-8-12-18-22/h7-12,15-18,23-24,27-28H,1-6,13-14,19-20H2
InChIKeyLYINZYMVMFUKJZ-UHFFFAOYSA-N
MW442.55 g/mol
LogP4.66
Rot. Bonds15

About 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate

10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate (PubChem CID 123268996) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
PubChem CID123268996
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Name10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate
SMILESO=C(OCCCCCCCCCCOC(=O)C(O)c1ccccc1)C(O)c1ccccc1
InChIInChI=1S/C26H34O6/c27-23(21-15-9-7-10-16-21)25(29)31-19-13-5-3-1-2-4-6-14-20-32-26(30)24(28)22-17-11-8-12-18-22/h7-12,15-18,23-24,27-28H,1-6,13-14,19-20H2
InChIKeyLYINZYMVMFUKJZ-UHFFFAOYSA-N
XLogP4.66
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.55
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

pentyl (2R)-2-hydroxy-2-phenylacetate
CID 67071786
2-(dimethylamino)ethyl 2-hydroxy-2-phenylacetate
CID 23617342
chloromethyl 2-hydroxy-2-phenylacetate
CID 123324758
ethyl 2-hydroxy-2-phenylacetate
CID 90673198
(2-hydroxy-2-phenylacetyl) 2-hydroxy-2-phenylacetate
CID 14706693
benzyl (2R)-2-hydroxy-2-phenylacetate
CID 853755
nonyl 2-hydroxy-2-(4-hydroxyphenyl)acetate
CID 67727655
ethyl 2-hydroxy-2-phenylacetate;methane;dihydrochloride
CID 174768847
sodium;ethyl 2-hydroxy-2-phenylacetate;hydride
CID 175364908
dihexyl 2-phenylpropanedioate
CID 19931020
2-pyrrolidin-1-ylethyl (2S)-2-hydroxy-2-phenylacetate
CID 95562526
hexyl carbamate;2-hydroxy-1,2-diphenylethanone
CID 138541446

Frequently Asked Questions

What is the IUPAC name of 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate?
The IUPAC name of 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate (CID 123268996) is 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate.
What is the SMILES notation for 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate?
The canonical SMILES for 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate is O=C(OCCCCCCCCCCOC(=O)C(O)c1ccccc1)C(O)c1ccccc1.
What is the InChIKey of 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate?
The InChIKey is LYINZYMVMFUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c27-23(21-15-9-7-10-16-21)25(29)31-19-13-5-3-1-2-4-6-14-20-32-26(30)24(28)22-17-11-8-12-18-22/h7-12,15-18,23-24,27-28H,1-6,13-14,19-20H2.
What are the key properties of 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate?
10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate has a molecular weight of 442.55 g/mol, XLogP of 4.66, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(2-hydroxy-2-phenylacetyl)oxydecyl 2-hydroxy-2-phenylacetate is sourced from PubChem (CID 123268996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).