[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate

C23H24O8 — CID 164830284

IUPAC[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
InChIInChI=1S/C23H24O8/c1-13(24)28-19-9-7-17(11-21(19)30-15(3)26)23(5,6)18-8-10-20(29-14(2)25)22(12-18)31-16(4)27/h7-12H,1-6H3
InChIKeyMPCMQAXOOLFNRE-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.71
Rot. Bonds6

About [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate

[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate (PubChem CID 164830284) has the molecular formula C23H24O8 and a molecular weight of 428.44 g/mol. Its IUPAC name is [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate.

Molecular Properties

Compound Name[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
PubChem CID164830284
Molecular FormulaC23H24O8
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Name[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
InChIInChI=1S/C23H24O8/c1-13(24)28-19-9-7-17(11-21(19)30-15(3)26)23(5,6)18-8-10-20(29-14(2)25)22(12-18)31-16(4)27/h7-12H,1-6H3
InChIKeyMPCMQAXOOLFNRE-UHFFFAOYSA-N
XLogP3.71
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate?
The IUPAC name of [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate (CID 164830284) is [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate.
What is the SMILES notation for [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate?
The canonical SMILES for [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate is CC(=O)Oc1ccc(C(C)(C)c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O.
What is the InChIKey of [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate?
The InChIKey is MPCMQAXOOLFNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O8/c1-13(24)28-19-9-7-17(11-21(19)30-15(3)26)23(5,6)18-8-10-20(29-14(2)25)22(12-18)31-16(4)27/h7-12H,1-6H3.
What are the key properties of [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate?
[2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate has a molecular weight of 428.44 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-acetyloxy-4-[2-(3,4-diacetyloxyphenyl)propan-2-yl]phenyl] acetate is sourced from PubChem (CID 164830284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).