2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate

C19H15ClO5 — CID 4535415

IUPAC2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate
SMILESC=CC(=O)OCCOC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO5/c1-2-17(21)24-11-12-25-19(23)15-5-3-13(4-6-15)18(22)14-7-9-16(20)10-8-14/h2-10H,1,11-12H2
InChIKeyRBTZRUFZVIIWFA-UHFFFAOYSA-N
MW358.78 g/mol
LogP3.46
Rot. Bonds7

About 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate

2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate (PubChem CID 4535415) has the molecular formula C19H15ClO5 and a molecular weight of 358.78 g/mol. Its IUPAC name is 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate.

Molecular Properties

Compound Name2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate
PubChem CID4535415
Molecular FormulaC19H15ClO5
Molecular Weight358.78 g/mol
Exact Mass358.06
IUPAC Name2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate
SMILESC=CC(=O)OCCOC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H15ClO5/c1-2-17(21)24-11-12-25-19(23)15-5-3-13(4-6-15)18(22)14-7-9-16(20)10-8-14/h2-10H,1,11-12H2
InChIKeyRBTZRUFZVIIWFA-UHFFFAOYSA-N
XLogP3.46
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.78
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate?
The IUPAC name of 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate (CID 4535415) is 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate.
What is the SMILES notation for 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate?
The canonical SMILES for 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate is C=CC(=O)OCCOC(=O)c1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate?
The InChIKey is RBTZRUFZVIIWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO5/c1-2-17(21)24-11-12-25-19(23)15-5-3-13(4-6-15)18(22)14-7-9-16(20)10-8-14/h2-10H,1,11-12H2.
What are the key properties of 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate?
2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate has a molecular weight of 358.78 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoyloxyethyl 4-(4-chlorobenzoyl)benzoate is sourced from PubChem (CID 4535415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).