[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate

C24H22O10 — CID 77188815

IUPAC[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1cc(C=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1
InChIInChI=1S/C24H22O10/c1-13(25)30-20-8-18(9-21(12-20)31-14(2)26)6-7-19-10-22(32-15(3)27)24(34-17(5)29)23(11-19)33-16(4)28/h6-12H,1-5H3
InChIKeyFSODBKNZABNTHI-UHFFFAOYSA-N
MW470.43 g/mol
LogP3.48
Rot. Bonds7

About [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate

[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate (PubChem CID 77188815) has the molecular formula C24H22O10 and a molecular weight of 470.43 g/mol. Its IUPAC name is [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate.

Molecular Properties

Compound Name[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
PubChem CID77188815
Molecular FormulaC24H22O10
Molecular Weight470.43 g/mol
Exact Mass470.12
IUPAC Name[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
SMILESCC(=O)Oc1cc(C=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1
InChIInChI=1S/C24H22O10/c1-13(25)30-20-8-18(9-21(12-20)31-14(2)26)6-7-19-10-22(32-15(3)27)24(34-17(5)29)23(11-19)33-16(4)28/h6-12H,1-5H3
InChIKeyFSODBKNZABNTHI-UHFFFAOYSA-N
XLogP3.48
TPSA131.50 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
(Z)-3-(3,4,5-triacetyloxyphenyl)prop-2-enoic acid
CID 154640312
(2,3-diacetyloxy-5-ethenylphenyl) acetate
CID 54549973
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
[3-[2,6-diacetyloxy-4-(2,4,6-triacetyloxyphenoxy)phenoxy]-5-(2,4,6-triacetyloxyphenoxy)phenyl] acetate
CID 23426767
[3-acetyloxy-5-[(E)-3-chloro-3-oxoprop-1-enyl]phenyl] acetate
CID 19793819
[4-[(E)-2-(3-acetyloxy-5-methoxyphenyl)ethenyl]phenyl] acetate
CID 155042421
3-(3,4-diacetyloxy-5-methylphenyl)prop-2-enoic acid
CID 70198123
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428250
[2,6-diacetyloxy-4-(2-phenylethenyl)phenyl] 2-chloroacetate
CID 87792548
(2-acetyloxy-5-formyl-3-methylphenyl) acetate
CID 57482558
[4-[(E)-2-(3-acetyloxy-5-methylphenyl)ethenyl]phenyl] acetate
CID 59301729

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate?
The IUPAC name of [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate (CID 77188815) is [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate.
What is the SMILES notation for [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate?
The canonical SMILES for [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate is CC(=O)Oc1cc(C=Cc2cc(OC(C)=O)c(OC(C)=O)c(OC(C)=O)c2)cc(OC(C)=O)c1.
What is the InChIKey of [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate?
The InChIKey is FSODBKNZABNTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O10/c1-13(25)30-20-8-18(9-21(12-20)31-14(2)26)6-7-19-10-22(32-15(3)27)24(34-17(5)29)23(11-19)33-16(4)28/h6-12H,1-5H3.
What are the key properties of [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate?
[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate has a molecular weight of 470.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate is sourced from PubChem (CID 77188815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).