[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate

C10H7Cl3O4 — CID 91704655

IUPAC[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate
SMILESO=C(CCl)Oc1cccc(OC(=O)C(Cl)Cl)c1
InChIInChI=1S/C10H7Cl3O4/c11-5-8(14)16-6-2-1-3-7(4-6)17-10(15)9(12)13/h1-4,9H,5H2
InChIKeyYGPPAZGBHXTIIL-UHFFFAOYSA-N
MW297.52 g/mol
LogP2.54
Rot. Bonds4

About [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate

[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate (PubChem CID 91704655) has the molecular formula C10H7Cl3O4 and a molecular weight of 297.52 g/mol. Its IUPAC name is [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate.

Molecular Properties

Compound Name[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate
PubChem CID91704655
Molecular FormulaC10H7Cl3O4
Molecular Weight297.52 g/mol
Exact Mass295.94
IUPAC Name[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate
SMILESO=C(CCl)Oc1cccc(OC(=O)C(Cl)Cl)c1
InChIInChI=1S/C10H7Cl3O4/c11-5-8(14)16-6-2-1-3-7(4-6)17-10(15)9(12)13/h1-4,9H,5H2
InChIKeyYGPPAZGBHXTIIL-UHFFFAOYSA-N
XLogP2.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[3-(2,2-dichloroacetyl)oxyphenyl] prop-2-enoate
CID 91692780
2-[3-(2-chloroacetyl)oxyphenyl]acetic acid
CID 56620307
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
[3-(4-chlorobutanoyloxy)phenyl] 4-chlorobutanoate
CID 46863601
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
2-[2-[3-[2-(carboxymethylperoxy)acetyl]oxyphenoxy]-2-oxoethyl]peroxyacetic acid
CID 87830229
[3-chloro-4-[2-chloro-4-(2-chloroacetyl)oxyphenyl]sulfanylphenyl] 2-chloroacetate
CID 20508793
(2,6-dimethylphenyl) 2-chloroacetate
CID 54160838
4-O-(3-chlorophenyl) 1-O-(2,2-dichloroethyl) butanedioate
CID 91701518
phenyl 2,3-dichloropropanoate
CID 15055281
(3-methoxyphenyl) 3-aminopropanoate
CID 94254189
(3-chlorophenyl) 2-hydroxyacetate
CID 130620336

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate?
The IUPAC name of [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate (CID 91704655) is [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate.
What is the SMILES notation for [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate?
The canonical SMILES for [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate is O=C(CCl)Oc1cccc(OC(=O)C(Cl)Cl)c1.
What is the InChIKey of [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate?
The InChIKey is YGPPAZGBHXTIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl3O4/c11-5-8(14)16-6-2-1-3-7(4-6)17-10(15)9(12)13/h1-4,9H,5H2.
What are the key properties of [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate?
[3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate has a molecular weight of 297.52 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroacetyl)oxyphenyl] 2,2-dichloroacetate is sourced from PubChem (CID 91704655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).