2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate

C12H12Cl2O4 — CID 46210986

IUPAC2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCc1ccc(OC(=O)CCl)cc1
InChIInChI=1S/C12H12Cl2O4/c13-7-11(15)17-6-5-9-1-3-10(4-2-9)18-12(16)8-14/h1-4H,5-8H2
InChIKeyNDOUHKJRPXITKJ-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.16
Rot. Bonds6

About 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate

2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate (PubChem CID 46210986) has the molecular formula C12H12Cl2O4 and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate.

Molecular Properties

Compound Name2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate
PubChem CID46210986
Molecular FormulaC12H12Cl2O4
Molecular Weight291.13 g/mol
Exact Mass290.01
IUPAC Name2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate
SMILESO=C(CCl)OCCc1ccc(OC(=O)CCl)cc1
InChIInChI=1S/C12H12Cl2O4/c13-7-11(15)17-6-5-9-1-3-10(4-2-9)18-12(16)8-14/h1-4H,5-8H2
InChIKeyNDOUHKJRPXITKJ-UHFFFAOYSA-N
XLogP2.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.16
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

CID 131871996
CID 131871996
2-[3-[2-(2-chloroacetyl)oxyethoxy]phenoxy]ethyl 2-chloroacetate
CID 3524641
2-[4-[(Z)-octadec-9-enoyl]oxyphenyl]ethyl (Z)-octadec-9-enoate
CID 10218921
[4-(2-chloroethyl)phenyl] acetate
CID 11847845
4-O-(2-chloroethyl) 1-O-(2-phenylethyl) butanedioate
CID 91703286
[4-[4-(2-phenylethoxy)phenoxy]phenyl] carbonochloridate
CID 151242428
2-(4-hydroxyphenyl)ethyl 3-(4-methoxyphenyl)propanoate
CID 155323267
[4-[2-(4-methylphenoxy)carbonyloxyethyl]phenyl] acetate
CID 122492472
(4-propylphenyl) 4-(4-chlorophenoxy)butanoate
CID 19184295
2-phenylethyl 3-(methylamino)propanoate
CID 114998421
bis[2-(4-bromophenyl)ethyl] pentanedioate
CID 91727849
2-(4-chlorophenyl)ethyl carbamate
CID 90103604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate?
The IUPAC name of 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate (CID 46210986) is 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate.
What is the SMILES notation for 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate?
The canonical SMILES for 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate is O=C(CCl)OCCc1ccc(OC(=O)CCl)cc1.
What is the InChIKey of 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate?
The InChIKey is NDOUHKJRPXITKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O4/c13-7-11(15)17-6-5-9-1-3-10(4-2-9)18-12(16)8-14/h1-4H,5-8H2.
What are the key properties of 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate?
2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate has a molecular weight of 291.13 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chloroacetyl)oxyphenyl]ethyl 2-chloroacetate is sourced from PubChem (CID 46210986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).