[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate

C28H24O8 — CID 54432476

IUPAC[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=Cc2ccccc2)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O
InChIInChI=1S/C28H24O8/c1-17(29)33-25-14-8-12-22(27(25)35-19(3)31)24(16-21-10-6-5-7-11-21)23-13-9-15-26(34-18(2)30)28(23)36-20(4)32/h5-16H,1-4H3
InChIKeyWILCDZQLRAUHPM-UHFFFAOYSA-N
MW488.49 g/mol
LogP4.98
Rot. Bonds7

About [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate

[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate (PubChem CID 54432476) has the molecular formula C28H24O8 and a molecular weight of 488.49 g/mol. Its IUPAC name is [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate
PubChem CID54432476
Molecular FormulaC28H24O8
Molecular Weight488.49 g/mol
Exact Mass488.15
IUPAC Name[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate
SMILESCC(=O)Oc1cccc(C(=Cc2ccccc2)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O
InChIInChI=1S/C28H24O8/c1-17(29)33-25-14-8-12-22(27(25)35-19(3)31)24(16-21-10-6-5-7-11-21)23-13-9-15-26(34-18(2)30)28(23)36-20(4)32/h5-16H,1-4H3
InChIKeyWILCDZQLRAUHPM-UHFFFAOYSA-N
XLogP4.98
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxy-3-hydroperoxybenzoic acid
CID 173352180
(2-acetyloxy-3-methoxyphenyl) acetate
CID 11564821
potassium;2-acetyloxybenzoic acid;chloride
CID 161210106
2-acetyloxybenzoic acid;ethene
CID 67877309
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
[2-acetyloxy-4-[(E)-1-acetyloxy-2-phenylethenyl]-3-nitrophenyl] acetate
CID 10272242
2-acetyloxybenzoic acid;(E)-but-2-enedioic acid
CID 135328306
3-acetyloxy-2-methylbenzoic acid
CID 3798557
[2-[2-(benzylideneamino)acetyl]phenyl] acetate
CID 101443233
triphenylen-1-yl acetate
CID 87276472
[2-(acetylcarbamoyl)phenyl] acetate
CID 12538006
2-[2-(2-acetyloxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 67421543

Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate?
The IUPAC name of [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate (CID 54432476) is [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate?
The canonical SMILES for [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate is CC(=O)Oc1cccc(C(=Cc2ccccc2)c2cccc(OC(C)=O)c2OC(C)=O)c1OC(C)=O.
What is the InChIKey of [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate?
The InChIKey is WILCDZQLRAUHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24O8/c1-17(29)33-25-14-8-12-22(27(25)35-19(3)31)24(16-21-10-6-5-7-11-21)23-13-9-15-26(34-18(2)30)28(23)36-20(4)32/h5-16H,1-4H3.
What are the key properties of [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate?
[2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate has a molecular weight of 488.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-3-[1-(2,3-diacetyloxyphenyl)-2-phenylethenyl]phenyl] acetate is sourced from PubChem (CID 54432476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).