ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate

C14H14Cl2O4 — CID 11483931

IUPACethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c1-4-19-14(18)8(2)13(20-9(3)17)11-6-5-10(15)7-12(11)16/h5-7,13H,2,4H2,1,3H3
InChIKeyBYORCTSEKULNCG-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.72
Rot. Bonds5

About ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate

ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate (PubChem CID 11483931) has the molecular formula C14H14Cl2O4 and a molecular weight of 317.17 g/mol. Its IUPAC name is ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate
PubChem CID11483931
Molecular FormulaC14H14Cl2O4
Molecular Weight317.17 g/mol
Exact Mass316.03
IUPAC Nameethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)C(OC(C)=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H14Cl2O4/c1-4-19-14(18)8(2)13(20-9(3)17)11-6-5-10(15)7-12(11)16/h5-7,13H,2,4H2,1,3H3
InChIKeyBYORCTSEKULNCG-UHFFFAOYSA-N
XLogP3.72
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate (CID 11483931) is ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate is C=C(C(=O)OCC)C(OC(C)=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate?
The InChIKey is BYORCTSEKULNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2O4/c1-4-19-14(18)8(2)13(20-9(3)17)11-6-5-10(15)7-12(11)16/h5-7,13H,2,4H2,1,3H3.
What are the key properties of ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate?
ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate has a molecular weight of 317.17 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[acetyloxy-(2,4-dichlorophenyl)methyl]prop-2-enoate is sourced from PubChem (CID 11483931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).