[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate

C19H28O6 — CID 5318274

IUPAC[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
SMILESCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O
InChIInChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3
InChIKeyAUBPDZJRJKZQEX-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.39
Rot. Bonds10

About [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate

[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate (PubChem CID 5318274) has the molecular formula C19H28O6 and a molecular weight of 352.43 g/mol. Its IUPAC name is [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate.

Molecular Properties

Compound Name[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
PubChem CID5318274
Molecular FormulaC19H28O6
Molecular Weight352.43 g/mol
Exact Mass352.19
IUPAC Name[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate
SMILESCCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O
InChIInChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3
InChIKeyAUBPDZJRJKZQEX-UHFFFAOYSA-N
XLogP3.39
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate?
The IUPAC name of [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate (CID 5318274) is [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate.
What is the SMILES notation for [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate?
The canonical SMILES for [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate is CCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O.
What is the InChIKey of [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate?
The InChIKey is AUBPDZJRJKZQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3.
What are the key properties of [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate?
[6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate has a molecular weight of 352.43 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-acetyloxy-8-(4-hydroxy-3-methoxyphenyl)octan-4-yl] acetate is sourced from PubChem (CID 5318274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).