(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate

C14H10Cl2O4 — CID 91734446

IUPAC(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C14H10Cl2O4/c1-8(17)19-7-13(18)20-14-10-5-3-2-4-9(10)11(15)6-12(14)16/h2-6H,7H2,1H3
InChIKeyUKADSAWSOBODHK-UHFFFAOYSA-N
MW313.14 g/mol
LogP3.62
Rot. Bonds3

About (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate

(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate (PubChem CID 91734446) has the molecular formula C14H10Cl2O4 and a molecular weight of 313.14 g/mol. Its IUPAC name is (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate.

Molecular Properties

Compound Name(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate
PubChem CID91734446
Molecular FormulaC14H10Cl2O4
Molecular Weight313.14 g/mol
Exact Mass312.00
IUPAC Name(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate
SMILESCC(=O)OCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12
InChIInChI=1S/C14H10Cl2O4/c1-8(17)19-7-13(18)20-14-10-5-3-2-4-9(10)11(15)6-12(14)16/h2-6H,7H2,1H3
InChIKeyUKADSAWSOBODHK-UHFFFAOYSA-N
XLogP3.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.14
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-acetyloxyacetyl)oxyphenyl] 2-acetyloxyacetate
CID 91701441
(2,4-dichloronaphthalen-1-yl) 2,2-dimethylpropanoate
CID 91734569
(2,4-dichloronaphthalen-1-yl) 3-methylbenzoate
CID 91710398
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
(2,4-dichloronaphthalen-1-yl) 3,4-difluorobenzoate
CID 91717061
(2,4-dichloronaphthalen-1-yl) 2-(trifluoromethyl)benzoate
CID 91726264
2-(2,4-dichloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 38113540
(2,4-dichloronaphthalen-1-yl) 2,4-difluorobenzoate
CID 91717057
(2,4-dichloronaphthalen-1-yl) 4-(trifluoromethyl)benzoate
CID 91726269
2,4-dichloro-1-propoxynaphthalene
CID 70099872
(2,4,6-trichlorophenyl) 2-benzyl-3-phenylpropanoate
CID 2784853
[(2S)-2-(2-chlorophenyl)-2-hydroxyethyl] acetate
CID 59063100

Frequently Asked Questions

What is the IUPAC name of (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate?
The IUPAC name of (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate (CID 91734446) is (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate.
What is the SMILES notation for (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate?
The canonical SMILES for (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate is CC(=O)OCC(=O)Oc1c(Cl)cc(Cl)c2ccccc12.
What is the InChIKey of (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate?
The InChIKey is UKADSAWSOBODHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O4/c1-8(17)19-7-13(18)20-14-10-5-3-2-4-9(10)11(15)6-12(14)16/h2-6H,7H2,1H3.
What are the key properties of (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate?
(2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate has a molecular weight of 313.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichloronaphthalen-1-yl) 2-acetyloxyacetate is sourced from PubChem (CID 91734446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).