acetyl 2-(3,4-diacetyloxyphenoxy)acetate

C14H14O8 — CID 91301037

IUPACacetyl 2-(3,4-diacetyloxyphenoxy)acetate
SMILESCC(=O)OC(=O)COc1ccc(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O8/c1-8(15)20-12-5-4-11(6-13(12)21-9(2)16)19-7-14(18)22-10(3)17/h4-6H,7H2,1-3H3
InChIKeyAOGJFEIDZSETBB-UHFFFAOYSA-N
MW310.26 g/mol
LogP1.01
Rot. Bonds5

About acetyl 2-(3,4-diacetyloxyphenoxy)acetate

acetyl 2-(3,4-diacetyloxyphenoxy)acetate (PubChem CID 91301037) has the molecular formula C14H14O8 and a molecular weight of 310.26 g/mol. Its IUPAC name is acetyl 2-(3,4-diacetyloxyphenoxy)acetate.

Molecular Properties

Compound Nameacetyl 2-(3,4-diacetyloxyphenoxy)acetate
PubChem CID91301037
Molecular FormulaC14H14O8
Molecular Weight310.26 g/mol
Exact Mass310.07
IUPAC Nameacetyl 2-(3,4-diacetyloxyphenoxy)acetate
SMILESCC(=O)OC(=O)COc1ccc(OC(C)=O)c(OC(C)=O)c1
InChIInChI=1S/C14H14O8/c1-8(15)20-12-5-4-11(6-13(12)21-9(2)16)19-7-14(18)22-10(3)17/h4-6H,7H2,1-3H3
InChIKeyAOGJFEIDZSETBB-UHFFFAOYSA-N
XLogP1.01
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

acetyl 2-(4-propan-2-ylphenoxy)acetate
CID 87594252
[2-acetyloxy-4-[(2-methylpropan-2-yl)oxy]phenyl] acetate
CID 140675740
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
methyl 2-(3-acetyloxyphenoxy)acetate
CID 20717761
[2-acetyloxy-4-[[[3-(3,4-diacetyloxyphenoxy)-2-hydroxypropyl]amino]methyl]phenyl] acetate
CID 59014940
[3-acetyloxy-4-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]phenyl] acetate
CID 15927207
[2-acetyloxy-4-[2,2-dichloro-1-(3,4-diacetyloxyphenyl)ethenyl]phenyl] acetate
CID 20539881
(4-butoxy-2-hexanoyloxyphenyl) hexanoate
CID 90031614
(3-acetyloxy-4-hydroxyphenyl) acetate
CID 54508975
(3,4-dimethoxyphenyl) acetate
CID 593001
[3-acetyloxy-4-(2,4-diacetyloxybenzoyl)phenyl] acetate
CID 86176236

Frequently Asked Questions

What is the IUPAC name of acetyl 2-(3,4-diacetyloxyphenoxy)acetate?
The IUPAC name of acetyl 2-(3,4-diacetyloxyphenoxy)acetate (CID 91301037) is acetyl 2-(3,4-diacetyloxyphenoxy)acetate.
What is the SMILES notation for acetyl 2-(3,4-diacetyloxyphenoxy)acetate?
The canonical SMILES for acetyl 2-(3,4-diacetyloxyphenoxy)acetate is CC(=O)OC(=O)COc1ccc(OC(C)=O)c(OC(C)=O)c1.
What is the InChIKey of acetyl 2-(3,4-diacetyloxyphenoxy)acetate?
The InChIKey is AOGJFEIDZSETBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O8/c1-8(15)20-12-5-4-11(6-13(12)21-9(2)16)19-7-14(18)22-10(3)17/h4-6H,7H2,1-3H3.
What are the key properties of acetyl 2-(3,4-diacetyloxyphenoxy)acetate?
acetyl 2-(3,4-diacetyloxyphenoxy)acetate has a molecular weight of 310.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 2-(3,4-diacetyloxyphenoxy)acetate is sourced from PubChem (CID 91301037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).