[4-(2,2-dichloroethenyl)phenyl] acetate

C10H8Cl2O2 — CID 13287855

IUPAC[4-(2,2-dichloroethenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C=C(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl2O2/c1-7(13)14-9-4-2-8(3-5-9)6-10(11)12/h2-6H,1H3
InChIKeyXZOOHOIMCKFGCU-UHFFFAOYSA-N
MW231.08 g/mol
LogP3.39
Rot. Bonds2

About [4-(2,2-dichloroethenyl)phenyl] acetate

[4-(2,2-dichloroethenyl)phenyl] acetate (PubChem CID 13287855) has the molecular formula C10H8Cl2O2 and a molecular weight of 231.08 g/mol. Its IUPAC name is [4-(2,2-dichloroethenyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(2,2-dichloroethenyl)phenyl] acetate
PubChem CID13287855
Molecular FormulaC10H8Cl2O2
Molecular Weight231.08 g/mol
Exact Mass229.99
IUPAC Name[4-(2,2-dichloroethenyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C=C(Cl)Cl)cc1
InChIInChI=1S/C10H8Cl2O2/c1-7(13)14-9-4-2-8(3-5-9)6-10(11)12/h2-6H,1H3
InChIKeyXZOOHOIMCKFGCU-UHFFFAOYSA-N
XLogP3.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.08
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-carbonochloridoylphenyl) acetate
CID 2756254
(4-ethenylphenyl) acetate;oxophosphane
CID 175041738
[4-[(E)-3-chloroprop-1-enyl]phenyl] acetate
CID 22770523
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
[4-(2-formamido-2-methoxyethenyl)phenyl] acetate
CID 173455409
(4-chlorophenyl) acetate
CID 13410
[4-[4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 6767
[4-[(2Z,4E)-4-(4-acetyloxyphenyl)hexa-2,4-dien-3-yl]phenyl] acetate
CID 24884313
tetrakis([4-[5-(4-acetyloxyphenyl)-3-oxopenta-1,4-dienyl]phenyl] acetate);bis(palladium)
CID 173130070
3-[4-(4-acetyloxybenzoyl)oxyphenyl]-2-methylprop-2-enoic acid
CID 56627182
[4-(3-amino-2-cyano-3-sulfanylideneprop-1-enyl)phenyl] acetate
CID 3637754
(4-ethenylphenyl) acetate;oxirane
CID 158488844

Frequently Asked Questions

What is the IUPAC name of [4-(2,2-dichloroethenyl)phenyl] acetate?
The IUPAC name of [4-(2,2-dichloroethenyl)phenyl] acetate (CID 13287855) is [4-(2,2-dichloroethenyl)phenyl] acetate.
What is the SMILES notation for [4-(2,2-dichloroethenyl)phenyl] acetate?
The canonical SMILES for [4-(2,2-dichloroethenyl)phenyl] acetate is CC(=O)Oc1ccc(C=C(Cl)Cl)cc1.
What is the InChIKey of [4-(2,2-dichloroethenyl)phenyl] acetate?
The InChIKey is XZOOHOIMCKFGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O2/c1-7(13)14-9-4-2-8(3-5-9)6-10(11)12/h2-6H,1H3.
What are the key properties of [4-(2,2-dichloroethenyl)phenyl] acetate?
[4-(2,2-dichloroethenyl)phenyl] acetate has a molecular weight of 231.08 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-dichloroethenyl)phenyl] acetate is sourced from PubChem (CID 13287855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).