[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate

C16H10Cl2O3 — CID 140539986

IUPAC[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2O3/c1-2-15(19)21-14-6-4-3-5-12(14)16(20)11-8-7-10(17)9-13(11)18/h2-9H,1H2
InChIKeyPOAGCVDLUMWMED-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.32
Rot. Bonds4

About [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate

[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate (PubChem CID 140539986) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate.

Molecular Properties

Compound Name[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate
PubChem CID140539986
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate
SMILESC=CC(=O)Oc1ccccc1C(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H10Cl2O3/c1-2-15(19)21-14-6-4-3-5-12(14)16(20)11-8-7-10(17)9-13(11)18/h2-9H,1H2
InChIKeyPOAGCVDLUMWMED-UHFFFAOYSA-N
XLogP4.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dichlorophenyl)-[2-(difluoromethoxy)phenyl]methanone
CID 63492359
(2-acetyl-5-chlorophenyl) prop-2-enoate
CID 174666775
(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
CID 20540258
(2-methoxycarbonylphenyl) 2,4-dichlorobenzoate
CID 837741
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(2,4-dichlorophenyl)-(2-ethylphenyl)methanone
CID 79020257
[4-chloro-2-(5-chloro-2-prop-2-enoyloxyphenyl)sulfanylphenyl] prop-2-enoate
CID 59739104
phenyl 2-prop-2-enoyloxybenzoate
CID 10858474
(2,4-dichlorophenyl)-(2-methylsulfanylphenyl)methanone
CID 79214960
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
[2-(4-nitrobenzoyl)phenyl] prop-2-enoate
CID 151855103
(3-chlorophenyl) prop-2-enoate
CID 10241458

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate?
The IUPAC name of [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate (CID 140539986) is [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate.
What is the SMILES notation for [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate?
The canonical SMILES for [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate is C=CC(=O)Oc1ccccc1C(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate?
The InChIKey is POAGCVDLUMWMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-2-15(19)21-14-6-4-3-5-12(14)16(20)11-8-7-10(17)9-13(11)18/h2-9H,1H2.
What are the key properties of [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate?
[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate has a molecular weight of 321.16 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate is sourced from PubChem (CID 140539986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).