(2,4-diacetyloxy-3,5-dichlorophenyl) acetate

C12H10Cl2O6 — CID 100914001

IUPAC(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
SMILESCC(=O)Oc1cc(Cl)c(OC(C)=O)c(Cl)c1OC(C)=O
InChIInChI=1S/C12H10Cl2O6/c1-5(15)18-9-4-8(13)11(19-6(2)16)10(14)12(9)20-7(3)17/h4H,1-3H3
InChIKeyGUMIPXGGOWGZPA-UHFFFAOYSA-N
MW321.11 g/mol
LogP2.77
Rot. Bonds3

About (2,4-diacetyloxy-3,5-dichlorophenyl) acetate

(2,4-diacetyloxy-3,5-dichlorophenyl) acetate (PubChem CID 100914001) has the molecular formula C12H10Cl2O6 and a molecular weight of 321.11 g/mol. Its IUPAC name is (2,4-diacetyloxy-3,5-dichlorophenyl) acetate.

Molecular Properties

Compound Name(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
PubChem CID100914001
Molecular FormulaC12H10Cl2O6
Molecular Weight321.11 g/mol
Exact Mass319.99
IUPAC Name(2,4-diacetyloxy-3,5-dichlorophenyl) acetate
SMILESCC(=O)Oc1cc(Cl)c(OC(C)=O)c(Cl)c1OC(C)=O
InChIInChI=1S/C12H10Cl2O6/c1-5(15)18-9-4-8(13)11(19-6(2)16)10(14)12(9)20-7(3)17/h4H,1-3H3
InChIKeyGUMIPXGGOWGZPA-UHFFFAOYSA-N
XLogP2.77
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.11
LogP ≤ 52.77
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

2-(3,4-diacetyloxy-5-chlorophenyl)acetic acid
CID 70526780
(3,4,5-triacetyloxyphenyl) acetate
CID 15689628
[2-[(2-acetyloxy-3,5,6-trichlorophenyl)methyl]-3,4,6-trichlorophenyl] acetate
CID 95559504
(2,6-dichloro-3-methoxyphenyl) acetate
CID 57203396
(2-acetyloxy-3,4,5,6-tetrachlorophenyl) acetate
CID 619084
(4-chloro-2,5-dimethoxyphenyl) acetate
CID 165356212
[4-(aminomethyl)-2,6-dichlorophenyl] acetate
CID 174895620
(4-bromo-2-chloro-6-methylphenyl) acetate
CID 130685721
(4-amino-2-chloro-6-methylphenyl) acetate
CID 143294448
(2,6-dichloro-4-nitrophenyl) acetate
CID 53440733
methyl 2-acetyloxy-4,5-dichlorobenzoate
CID 23046714
(3-chloro-2,5-dimethylphenyl) acetate
CID 175455570

Frequently Asked Questions

What is the IUPAC name of (2,4-diacetyloxy-3,5-dichlorophenyl) acetate?
The IUPAC name of (2,4-diacetyloxy-3,5-dichlorophenyl) acetate (CID 100914001) is (2,4-diacetyloxy-3,5-dichlorophenyl) acetate.
What is the SMILES notation for (2,4-diacetyloxy-3,5-dichlorophenyl) acetate?
The canonical SMILES for (2,4-diacetyloxy-3,5-dichlorophenyl) acetate is CC(=O)Oc1cc(Cl)c(OC(C)=O)c(Cl)c1OC(C)=O.
What is the InChIKey of (2,4-diacetyloxy-3,5-dichlorophenyl) acetate?
The InChIKey is GUMIPXGGOWGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2O6/c1-5(15)18-9-4-8(13)11(19-6(2)16)10(14)12(9)20-7(3)17/h4H,1-3H3.
What are the key properties of (2,4-diacetyloxy-3,5-dichlorophenyl) acetate?
(2,4-diacetyloxy-3,5-dichlorophenyl) acetate has a molecular weight of 321.11 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diacetyloxy-3,5-dichlorophenyl) acetate is sourced from PubChem (CID 100914001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).