2,2-dichloroethyl 2-phenylacetate

C10H10Cl2O2 — CID 102088308

IUPAC2,2-dichloroethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(Cl)Cl
InChIInChI=1S/C10H10Cl2O2/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyAYTWDRQJJXPFKC-UHFFFAOYSA-N
MW233.09 g/mol
LogP2.58
Rot. Bonds4

About 2,2-dichloroethyl 2-phenylacetate

2,2-dichloroethyl 2-phenylacetate (PubChem CID 102088308) has the molecular formula C10H10Cl2O2 and a molecular weight of 233.09 g/mol. Its IUPAC name is 2,2-dichloroethyl 2-phenylacetate.

Molecular Properties

Compound Name2,2-dichloroethyl 2-phenylacetate
PubChem CID102088308
Molecular FormulaC10H10Cl2O2
Molecular Weight233.09 g/mol
Exact Mass232.01
IUPAC Name2,2-dichloroethyl 2-phenylacetate
SMILESO=C(Cc1ccccc1)OCC(Cl)Cl
InChIInChI=1S/C10H10Cl2O2/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyAYTWDRQJJXPFKC-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.09
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,2-dichloroethyl 2-phenylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl] 2-phenylacetate
CID 67583386
ethyl 2-phenylacetate
CID 7590
ethyl 2-phenylacetate;hydrate
CID 141257001
4-(2-phenylacetyl)oxybut-2-enyl 2-phenylacetate
CID 139775168
acetyloxymethyl 2-phenylacetate
CID 121486345
2-decyldodecyl 2-phenylacetate
CID 129279320
2-heptylundecyl 2-phenylacetate
CID 129279288
3-methylbutyl 2-phenylacetate
CID 7600
[(E)-3-chloroprop-2-enyl] 2-phenylacetate
CID 5353051
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
chloro hypochlorite;2-phenylacetic acid
CID 174297587
CID 174393592
CID 174393592

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloroethyl 2-phenylacetate?
The IUPAC name of 2,2-dichloroethyl 2-phenylacetate (CID 102088308) is 2,2-dichloroethyl 2-phenylacetate.
What is the SMILES notation for 2,2-dichloroethyl 2-phenylacetate?
The canonical SMILES for 2,2-dichloroethyl 2-phenylacetate is O=C(Cc1ccccc1)OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethyl 2-phenylacetate?
The InChIKey is AYTWDRQJJXPFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O2/c11-9(12)7-14-10(13)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2,2-dichloroethyl 2-phenylacetate?
2,2-dichloroethyl 2-phenylacetate has a molecular weight of 233.09 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethyl 2-phenylacetate is sourced from PubChem (CID 102088308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).