(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate

C19H16Cl2O3 — CID 16556463

IUPAC(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC2CC2(Cl)Cl)cc1
InChIInChI=1S/C19H16Cl2O3/c1-12-6-8-13(9-7-12)17(22)15-4-2-3-5-16(15)18(23)24-11-14-10-19(14,20)21/h2-9,14H,10-11H2,1H3
InChIKeyJTEVYJXYXZUBHS-UHFFFAOYSA-N
MW363.24 g/mol
LogP4.58
Rot. Bonds5

About (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate

(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate (PubChem CID 16556463) has the molecular formula C19H16Cl2O3 and a molecular weight of 363.24 g/mol. Its IUPAC name is (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate.

Molecular Properties

Compound Name(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
PubChem CID16556463
Molecular FormulaC19H16Cl2O3
Molecular Weight363.24 g/mol
Exact Mass362.05
IUPAC Name(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate
SMILESCc1ccc(C(=O)c2ccccc2C(=O)OCC2CC2(Cl)Cl)cc1
InChIInChI=1S/C19H16Cl2O3/c1-12-6-8-13(9-7-12)17(22)15-4-2-3-5-16(15)18(23)24-11-14-10-19(14,20)21/h2-9,14H,10-11H2,1H3
InChIKeyJTEVYJXYXZUBHS-UHFFFAOYSA-N
XLogP4.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.24
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate 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-dichlorocyclopropyl)methyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate
CID 16959890
(2-amino-2-oxoethyl) 2-(4-methylbenzoyl)benzoate
CID 2370634
(2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718093
[(1R)-2,2-dichlorocyclopropyl]methyl 4-(4-hydroxyphenyl)benzoate
CID 26538853
[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 23960508
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
(2,2-dichlorocyclopropyl)methyl 3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18158224
[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2645554
[2-(2-methylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2353601
(4,5-dimethoxy-2-methylphenyl)methyl 2-(4-methylbenzoyl)benzoate
CID 7718092
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605601
[2-(2-acetylanilino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2605484

Frequently Asked Questions

What is the IUPAC name of (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate?
The IUPAC name of (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate (CID 16556463) is (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate.
What is the SMILES notation for (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate?
The canonical SMILES for (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate is Cc1ccc(C(=O)c2ccccc2C(=O)OCC2CC2(Cl)Cl)cc1.
What is the InChIKey of (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate?
The InChIKey is JTEVYJXYXZUBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2O3/c1-12-6-8-13(9-7-12)17(22)15-4-2-3-5-16(15)18(23)24-11-14-10-19(14,20)21/h2-9,14H,10-11H2,1H3.
What are the key properties of (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate?
(2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate has a molecular weight of 363.24 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichlorocyclopropyl)methyl 2-(4-methylbenzoyl)benzoate is sourced from PubChem (CID 16556463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).