2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate

C26H32O8 — CID 146684340

IUPAC2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate
SMILESCC(=O)OCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C26H32O8/c1-18(27)33-13-6-4-2-3-5-7-23(30)26-20(15-22(29)17-24(26)31)16-25(32)34-14-12-19-8-10-21(28)11-9-19/h8-11,15,17,28-29,31H,2-7,12-14,16H2,1H3
InChIKeyDLCHRERBBZWJJJ-UHFFFAOYSA-N
MW472.53 g/mol
LogP4.22
Rot. Bonds14

About 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate

2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate (PubChem CID 146684340) has the molecular formula C26H32O8 and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate
PubChem CID146684340
Molecular FormulaC26H32O8
Molecular Weight472.53 g/mol
Exact Mass472.21
IUPAC Name2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate
SMILESCC(=O)OCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCc1ccc(O)cc1
InChIInChI=1S/C26H32O8/c1-18(27)33-13-6-4-2-3-5-7-23(30)26-20(15-22(29)17-24(26)31)16-25(32)34-14-12-19-8-10-21(28)11-9-19/h8-11,15,17,28-29,31H,2-7,12-14,16H2,1H3
InChIKeyDLCHRERBBZWJJJ-UHFFFAOYSA-N
XLogP4.22
TPSA130.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.53
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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ethyl 2-[3,5-dihydroxy-2-[(6R)-6-hydroxyoctanoyl]phenyl]acetate
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2-(3,5-dihydroxy-2-octanoylphenyl)acetic acid
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2-(4-hydroxyphenyl)ethyl pentanoate
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3-(4-hydroxyphenyl)propyl pentacosanoate
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2-(4-hydroxyphenyl)ethyl (E)-octadec-9-enoate
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CID 11234557

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate (CID 146684340) is 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate is CC(=O)OCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate?
The InChIKey is DLCHRERBBZWJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O8/c1-18(27)33-13-6-4-2-3-5-7-23(30)26-20(15-22(29)17-24(26)31)16-25(32)34-14-12-19-8-10-21(28)11-9-19/h8-11,15,17,28-29,31H,2-7,12-14,16H2,1H3.
What are the key properties of 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate?
2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate has a molecular weight of 472.53 g/mol, XLogP of 4.22, 14 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl 2-[2-(8-acetyloxyoctanoyl)-3,5-dihydroxyphenyl]acetate is sourced from PubChem (CID 146684340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).