[acetyloxy-(2,4-dichlorophenyl)methyl] acetate

C11H10Cl2O4 — CID 676879

IUPAC[acetyloxy-(2,4-dichlorophenyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O4/c1-6(14)16-11(17-7(2)15)9-4-3-8(12)5-10(9)13/h3-5,11H,1-2H3
InChIKeyJZENNIVCPDDZDO-UHFFFAOYSA-N
MW277.10 g/mol
LogP3.12
Rot. Bonds3

About [acetyloxy-(2,4-dichlorophenyl)methyl] acetate

[acetyloxy-(2,4-dichlorophenyl)methyl] acetate (PubChem CID 676879) has the molecular formula C11H10Cl2O4 and a molecular weight of 277.10 g/mol. Its IUPAC name is [acetyloxy-(2,4-dichlorophenyl)methyl] acetate.

Molecular Properties

Compound Name[acetyloxy-(2,4-dichlorophenyl)methyl] acetate
PubChem CID676879
Molecular FormulaC11H10Cl2O4
Molecular Weight277.10 g/mol
Exact Mass276.00
IUPAC Name[acetyloxy-(2,4-dichlorophenyl)methyl] acetate
SMILESCC(=O)OC(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H10Cl2O4/c1-6(14)16-11(17-7(2)15)9-4-3-8(12)5-10(9)13/h3-5,11H,1-2H3
InChIKeyJZENNIVCPDDZDO-UHFFFAOYSA-N
XLogP3.12
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-1,3-dioxolane
CID 305775
2-(4-Chlorophenyl)-5-methyl-1,3-dioxane-5-carboxylic acid
CID 2174396
Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
4-Chlorobenzaldehyde dimethyl acetal
CID 520661
2-Chlorobenzaldehyde ethylene ketal
CID 4054551
1,3-Dichloro-2-(methoxymethyl)benzene
CID 118490
1-Chloro-4-(diethoxymethyl)benzene
CID 326160
(2,4-Dichlorophenyl)methyl acetate
CID 225826
1,3-Dioxane, 2-(4-chlorophenyl)-
CID 252517
1-Chloro-4-(trimethoxymethyl)benzene
CID 12287601
2-(2-Chlorophenyl)-5,5-dimethyl-1,3-dioxane
CID 221915
[(1R)-1-(4-chlorophenyl)propyl] acetate
CID 11206641

Frequently Asked Questions

What is the IUPAC name of [acetyloxy-(2,4-dichlorophenyl)methyl] acetate?
The IUPAC name of [acetyloxy-(2,4-dichlorophenyl)methyl] acetate (CID 676879) is [acetyloxy-(2,4-dichlorophenyl)methyl] acetate.
What is the SMILES notation for [acetyloxy-(2,4-dichlorophenyl)methyl] acetate?
The canonical SMILES for [acetyloxy-(2,4-dichlorophenyl)methyl] acetate is CC(=O)OC(OC(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [acetyloxy-(2,4-dichlorophenyl)methyl] acetate?
The InChIKey is JZENNIVCPDDZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O4/c1-6(14)16-11(17-7(2)15)9-4-3-8(12)5-10(9)13/h3-5,11H,1-2H3.
What are the key properties of [acetyloxy-(2,4-dichlorophenyl)methyl] acetate?
[acetyloxy-(2,4-dichlorophenyl)methyl] acetate has a molecular weight of 277.10 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy-(2,4-dichlorophenyl)methyl] acetate is sourced from PubChem (CID 676879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).