(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate

C15H16O6 — CID 173058806

IUPAC(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
SMILESCC=Cc1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O
InChIInChI=1S/C15H16O6/c1-5-6-13-14(20-10(3)17)7-12(19-9(2)16)8-15(13)21-11(4)18/h5-8H,1-4H3
InChIKeyRNMDXEFBQVMGGD-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.50
Rot. Bonds4

About (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate

(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate (PubChem CID 173058806) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate.

Molecular Properties

Compound Name(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
PubChem CID173058806
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Name(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate
SMILESCC=Cc1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O
InChIInChI=1S/C15H16O6/c1-5-6-13-14(20-10(3)17)7-12(19-9(2)16)8-15(13)21-11(4)18/h5-8H,1-4H3
InChIKeyRNMDXEFBQVMGGD-UHFFFAOYSA-N
XLogP2.50
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3-acetyloxy-4-formyl-5-hydroxyphenyl) acetate
CID 11806680
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
[3-[2,6-diacetyloxy-4-(2,4,6-triacetyloxyphenoxy)phenoxy]-5-(2,4,6-triacetyloxyphenoxy)phenyl] acetate
CID 23426767
[3,5-diacetyloxy-4-[2,4,6-triacetyloxy-3-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenyl]phenyl]phenyl] acetate
CID 23428250
[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-[3,5-diacetyloxy-4-(3,4,5-triacetyloxyphenoxy)phenoxy]phenoxy]phenyl] acetate
CID 15689630
(E)-3-(2,6-diacetyloxy-4-methylphenyl)prop-2-enoic acid
CID 58123080
[3-acetyloxy-5-[2-(3,4,5-triacetyloxyphenyl)ethenyl]phenyl] acetate
CID 77188815
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
(4-formyl-3-hydroxy-5-methoxyphenyl) acetate
CID 141315375
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236
[3-acetyloxy-5-[2,4,6-triacetyloxy-3-(2,4,6-triacetyloxyphenyl)phenoxy]phenyl] acetate
CID 3085355

Frequently Asked Questions

What is the IUPAC name of (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate?
The IUPAC name of (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate (CID 173058806) is (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate.
What is the SMILES notation for (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate?
The canonical SMILES for (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate is CC=Cc1c(OC(C)=O)cc(OC(C)=O)cc1OC(C)=O.
What is the InChIKey of (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate?
The InChIKey is RNMDXEFBQVMGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-5-6-13-14(20-10(3)17)7-12(19-9(2)16)8-15(13)21-11(4)18/h5-8H,1-4H3.
What are the key properties of (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate?
(3,5-diacetyloxy-4-prop-1-enylphenyl) acetate has a molecular weight of 292.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diacetyloxy-4-prop-1-enylphenyl) acetate is sourced from PubChem (CID 173058806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).