(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate

C16H10Cl2O3 — CID 20540258

IUPAC(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)cc(Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C16H10Cl2O3/c1-2-14(19)21-13-9-11(17)8-12(18)15(13)16(20)10-6-4-3-5-7-10/h2-9H,1H2
InChIKeyJZPRLKSFXLLGRI-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.32
Rot. Bonds4

About (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate

(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate (PubChem CID 20540258) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate.

Molecular Properties

Compound Name(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
PubChem CID20540258
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name(2-benzoyl-3,5-dichlorophenyl) prop-2-enoate
SMILESC=CC(=O)Oc1cc(Cl)cc(Cl)c1C(=O)c1ccccc1
InChIInChI=1S/C16H10Cl2O3/c1-2-14(19)21-13-9-11(17)8-12(18)15(13)16(20)10-6-4-3-5-7-10/h2-9H,1H2
InChIKeyJZPRLKSFXLLGRI-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'}

Analyze (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate with MolForge

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

Launch Full Analysis

Related Compounds

[2-(2,4-dichlorobenzoyl)phenyl] prop-2-enoate
CID 140539986
(2-benzoyl-5-hydroxyphenyl) prop-2-enoate
CID 139962678
(2-benzoyl-4-methylphenyl) prop-2-enoate
CID 89073800
(3-benzoyl-2-hydroxyphenyl) prop-2-enoate
CID 21134250
[3,5-dichloro-4-(2,6-dichloro-4-prop-2-enoyloxyphenyl)phenyl] prop-2-enoate
CID 70544531
(2-benzoyl-4-tert-butylphenyl) prop-2-enoate
CID 141437960
benzoic acid;(2-hydroxyphenyl) prop-2-enoate
CID 174625141
[4-(4-benzoylphenoxy)carbonyloxyphenyl] prop-2-enoate
CID 151151993
(2-acetyl-5-chlorophenyl) prop-2-enoate
CID 174666775
(4-prop-2-enoyloxynaphthalen-1-yl) prop-2-enoate
CID 70427728
(3-chlorophenyl) prop-2-enoate
CID 10241458
chloroethene;diphenylmethanone
CID 159955636

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate?
The IUPAC name of (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate (CID 20540258) is (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate.
What is the SMILES notation for (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate?
The canonical SMILES for (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate is C=CC(=O)Oc1cc(Cl)cc(Cl)c1C(=O)c1ccccc1.
What is the InChIKey of (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate?
The InChIKey is JZPRLKSFXLLGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-2-14(19)21-13-9-11(17)8-12(18)15(13)16(20)10-6-4-3-5-7-10/h2-9H,1H2.
What are the key properties of (2-benzoyl-3,5-dichlorophenyl) prop-2-enoate?
(2-benzoyl-3,5-dichlorophenyl) 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-benzoyl-3,5-dichlorophenyl) prop-2-enoate is sourced from PubChem (CID 20540258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).