2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate

C11H10Cl2O2 — CID 163297857

IUPAC2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate
SMILESC=C(Cl)COC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-8(12)7-15-11(14)6-9-3-2-4-10(13)5-9/h2-5H,1,6-7H2
InChIKeyWAHVNBIDVQATRG-UHFFFAOYSA-N
MW245.10 g/mol
LogP3.18
Rot. Bonds4

About 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate

2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate (PubChem CID 163297857) has the molecular formula C11H10Cl2O2 and a molecular weight of 245.10 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate
PubChem CID163297857
Molecular FormulaC11H10Cl2O2
Molecular Weight245.10 g/mol
Exact Mass244.01
IUPAC Name2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate
SMILESC=C(Cl)COC(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C11H10Cl2O2/c1-8(12)7-15-11(14)6-9-3-2-4-10(13)5-9/h2-5H,1,6-7H2
InChIKeyWAHVNBIDVQATRG-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.10
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate?
The IUPAC name of 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate (CID 163297857) is 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate.
What is the SMILES notation for 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate?
The canonical SMILES for 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate is C=C(Cl)COC(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate?
The InChIKey is WAHVNBIDVQATRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O2/c1-8(12)7-15-11(14)6-9-3-2-4-10(13)5-9/h2-5H,1,6-7H2.
What are the key properties of 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate?
2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate has a molecular weight of 245.10 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 2-(3-chlorophenyl)acetate is sourced from PubChem (CID 163297857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).