[2-chloro-1-(2-ethenylphenyl)ethyl] acetate

C12H13ClO2 — CID 10704383

IUPAC[2-chloro-1-(2-ethenylphenyl)ethyl] acetate
SMILESC=Cc1ccccc1C(CCl)OC(C)=O
InChIInChI=1S/C12H13ClO2/c1-3-10-6-4-5-7-11(10)12(8-13)15-9(2)14/h3-7,12H,1,8H2,2H3
InChIKeyGUFJOFSGVMSIRK-UHFFFAOYSA-N
MW224.69 g/mol
LogP3.17
Rot. Bonds4

About [2-chloro-1-(2-ethenylphenyl)ethyl] acetate

[2-chloro-1-(2-ethenylphenyl)ethyl] acetate (PubChem CID 10704383) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is [2-chloro-1-(2-ethenylphenyl)ethyl] acetate.

Molecular Properties

Compound Name[2-chloro-1-(2-ethenylphenyl)ethyl] acetate
PubChem CID10704383
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name[2-chloro-1-(2-ethenylphenyl)ethyl] acetate
SMILESC=Cc1ccccc1C(CCl)OC(C)=O
InChIInChI=1S/C12H13ClO2/c1-3-10-6-4-5-7-11(10)12(8-13)15-9(2)14/h3-7,12H,1,8H2,2H3
InChIKeyGUFJOFSGVMSIRK-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-1-(2-ethenylphenyl)ethyl]acetamide
CID 118318081
[(1S)-2-chloro-1-(4-chlorophenyl)ethyl] acetate
CID 102028117
1-(2-chloropentan-3-yl)-2-ethenylbenzene
CID 139903375
[(2R)-2-acetyloxy-2-(2-chlorophenyl)ethyl] acetate
CID 53355739
1-ethenyl-2-pentan-3-ylbenzene
CID 20542388
[1-(2-formylphenyl)-2-nitropropyl] acetate
CID 11572371
2-amino-2-(2-ethenylphenyl)acetic acid
CID 55283582
benzene;(2-ethenylphenyl) acetate
CID 175577038
[(1R)-1-naphthalen-1-ylprop-2-enyl] acetate
CID 101384633
[2-(2-ethenylphenyl)-2-hydroxyethyl] benzoate
CID 155680336
4-(2-ethenylphenyl)-3,4-dihydroxybutanoic acid
CID 171877228
1-(2-chlorophenyl)pentyl acetate
CID 141200843

Frequently Asked Questions

What is the IUPAC name of [2-chloro-1-(2-ethenylphenyl)ethyl] acetate?
The IUPAC name of [2-chloro-1-(2-ethenylphenyl)ethyl] acetate (CID 10704383) is [2-chloro-1-(2-ethenylphenyl)ethyl] acetate.
What is the SMILES notation for [2-chloro-1-(2-ethenylphenyl)ethyl] acetate?
The canonical SMILES for [2-chloro-1-(2-ethenylphenyl)ethyl] acetate is C=Cc1ccccc1C(CCl)OC(C)=O.
What is the InChIKey of [2-chloro-1-(2-ethenylphenyl)ethyl] acetate?
The InChIKey is GUFJOFSGVMSIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-3-10-6-4-5-7-11(10)12(8-13)15-9(2)14/h3-7,12H,1,8H2,2H3.
What are the key properties of [2-chloro-1-(2-ethenylphenyl)ethyl] acetate?
[2-chloro-1-(2-ethenylphenyl)ethyl] acetate has a molecular weight of 224.69 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-1-(2-ethenylphenyl)ethyl] acetate is sourced from PubChem (CID 10704383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).