phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate

C14H8Cl4O2 — CID 59974908

IUPACphenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate
SMILESO=C(Oc1ccccc1)C(Cl)(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-9-6-7-11(12(16)8-9)14(17,18)13(19)20-10-4-2-1-3-5-10/h1-8H
InChIKeyBLBUYBHNFFBQIV-UHFFFAOYSA-N
MW350.03 g/mol
LogP5.23
Rot. Bonds3

About phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate

phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate (PubChem CID 59974908) has the molecular formula C14H8Cl4O2 and a molecular weight of 350.03 g/mol. Its IUPAC name is phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate.

Molecular Properties

Compound Namephenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate
PubChem CID59974908
Molecular FormulaC14H8Cl4O2
Molecular Weight350.03 g/mol
Exact Mass347.93
IUPAC Namephenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate
SMILESO=C(Oc1ccccc1)C(Cl)(Cl)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H8Cl4O2/c15-9-6-7-11(12(16)8-9)14(17,18)13(19)20-10-4-2-1-3-5-10/h1-8H
InChIKeyBLBUYBHNFFBQIV-UHFFFAOYSA-N
XLogP5.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.03
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl N-(2,4-dichloroanilino)carbamate
CID 154093412
(4-phenoxyphenyl) 2-(2,4-dichlorophenyl)acetate
CID 7961913
2-(2,4-dichlorophenyl)-2-methyl-3-phenylpropanoyl chloride
CID 117048262
diphenyl 2,5-dichlorobenzene-1,4-dicarboxylate
CID 154094217
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
3-(2,4-dichlorobenzoyl)oxybenzoic acid
CID 54854766
2-chloro-2-(2,4-dichlorophenyl)propanal
CID 20571053
(4-phenylphenyl) 2,2,2-trichloroacetate
CID 67873117
phenyl 2,2-difluoro-2-methylsulfanylacetate
CID 101183893
3-O-(4-chlorophenyl) 1-O,1-O,1-O-triphenyl but-3-ene-1,1,1,3-tetracarboxylate
CID 139695209
ethyl 2-(2,4-dichlorophenyl)-2,2-difluoroacetate
CID 118647040
phenyl 2-amino-2-methylpropanoate
CID 22002021

Frequently Asked Questions

What is the IUPAC name of phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate?
The IUPAC name of phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate (CID 59974908) is phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate.
What is the SMILES notation for phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate?
The canonical SMILES for phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate is O=C(Oc1ccccc1)C(Cl)(Cl)c1ccc(Cl)cc1Cl.
What is the InChIKey of phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate?
The InChIKey is BLBUYBHNFFBQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl4O2/c15-9-6-7-11(12(16)8-9)14(17,18)13(19)20-10-4-2-1-3-5-10/h1-8H.
What are the key properties of phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate?
phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate has a molecular weight of 350.03 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2,2-dichloro-2-(2,4-dichlorophenyl)acetate is sourced from PubChem (CID 59974908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).