[5-chloro-2-(2-chloroacetyl)phenyl] acetate

C10H8Cl2O3 — CID 87995855

IUPAC[5-chloro-2-(2-chloroacetyl)phenyl] acetate
SMILESCC(=O)Oc1cc(Cl)ccc1C(=O)CCl
InChIInChI=1S/C10H8Cl2O3/c1-6(13)15-10-4-7(12)2-3-8(10)9(14)5-11/h2-4H,5H2,1H3
InChIKeyUPPHPZQLAKGMTP-UHFFFAOYSA-N
MW247.08 g/mol
LogP2.69
Rot. Bonds3

About [5-chloro-2-(2-chloroacetyl)phenyl] acetate

[5-chloro-2-(2-chloroacetyl)phenyl] acetate (PubChem CID 87995855) has the molecular formula C10H8Cl2O3 and a molecular weight of 247.08 g/mol. Its IUPAC name is [5-chloro-2-(2-chloroacetyl)phenyl] acetate.

Molecular Properties

Compound Name[5-chloro-2-(2-chloroacetyl)phenyl] acetate
PubChem CID87995855
Molecular FormulaC10H8Cl2O3
Molecular Weight247.08 g/mol
Exact Mass245.99
IUPAC Name[5-chloro-2-(2-chloroacetyl)phenyl] acetate
SMILESCC(=O)Oc1cc(Cl)ccc1C(=O)CCl
InChIInChI=1S/C10H8Cl2O3/c1-6(13)15-10-4-7(12)2-3-8(10)9(14)5-11/h2-4H,5H2,1H3
InChIKeyUPPHPZQLAKGMTP-UHFFFAOYSA-N
XLogP2.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[4-acetyloxy-3-(2-chloroacetyl)phenyl] acetate
CID 24975107
[4-chloro-2-(chloromethyl)phenyl] acetate
CID 13254480
(4-chloro-2-methoxyphenyl) acetate
CID 45073631
2-chloro-1-(4-chloro-2-fluorophenyl)ethanone
CID 45081012
1-(2-bromo-4-chlorophenyl)-2-chloroethanone
CID 103693977
1-(4-chloro-2-methoxyphenyl)propan-1-one
CID 19901195
[4-chloro-2-(trifluoromethyl)phenyl] acetate
CID 118592870
methyl 3-(4-chloro-2-methoxyphenyl)-3-oxopropanoate
CID 70925530
(5-chloro-2-methylphenyl) propanoate
CID 131155608
(2-acetyl-5-chlorophenyl) prop-2-enoate
CID 174666775
1-(4-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)ethanone
CID 63526993
[2-(2-acetyloxy-4-methylphenyl)-2-oxoethyl] acetate
CID 175144478

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(2-chloroacetyl)phenyl] acetate?
The IUPAC name of [5-chloro-2-(2-chloroacetyl)phenyl] acetate (CID 87995855) is [5-chloro-2-(2-chloroacetyl)phenyl] acetate.
What is the SMILES notation for [5-chloro-2-(2-chloroacetyl)phenyl] acetate?
The canonical SMILES for [5-chloro-2-(2-chloroacetyl)phenyl] acetate is CC(=O)Oc1cc(Cl)ccc1C(=O)CCl.
What is the InChIKey of [5-chloro-2-(2-chloroacetyl)phenyl] acetate?
The InChIKey is UPPHPZQLAKGMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O3/c1-6(13)15-10-4-7(12)2-3-8(10)9(14)5-11/h2-4H,5H2,1H3.
What are the key properties of [5-chloro-2-(2-chloroacetyl)phenyl] acetate?
[5-chloro-2-(2-chloroacetyl)phenyl] acetate has a molecular weight of 247.08 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(2-chloroacetyl)phenyl] acetate is sourced from PubChem (CID 87995855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).