[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate

C23H18Cl2O4 — CID 126188550

IUPAC[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate
SMILESCc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C23H18Cl2O4/c1-15-3-2-4-19(11-15)28-13-16-5-7-17(8-6-16)23(27)29-14-22(26)20-10-9-18(24)12-21(20)25/h2-12H,13-14H2,1H3
InChIKeyJRGFDOPPIPFQBY-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.92
Rot. Bonds7

About [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate

[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate (PubChem CID 126188550) has the molecular formula C23H18Cl2O4 and a molecular weight of 429.30 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate
PubChem CID126188550
Molecular FormulaC23H18Cl2O4
Molecular Weight429.30 g/mol
Exact Mass428.06
IUPAC Name[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate
SMILESCc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)c1
InChIInChI=1S/C23H18Cl2O4/c1-15-3-2-4-19(11-15)28-13-16-5-7-17(8-6-16)23(27)29-14-22(26)20-10-9-18(24)12-21(20)25/h2-12H,13-14H2,1H3
InChIKeyJRGFDOPPIPFQBY-UHFFFAOYSA-N
XLogP5.92
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]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-(2,4-dimethylphenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239775
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(phenoxymethyl)benzoate
CID 7239727
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-phenylmethoxybenzoate
CID 7240043
[(1R)-2-(4-chlorophenyl)-2-oxo-1-phenylethyl] 4-[(3-methylphenoxy)methyl]benzoate
CID 126185839
1-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412670
1-(2,4-dichlorophenyl)-2-(3-ethoxyphenoxy)ethanone
CID 62335593
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2459819
(3-acetylphenyl) 4-[(3-methylphenoxy)methyl]benzoate
CID 126187584
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chlorobenzoate
CID 882294
N-(3-chloro-2-methylphenyl)-4-[(3-methylphenoxy)methyl]benzamide
CID 3562657
[2-(2,4-dichlorophenyl)-2-oxoethyl] 3-nitrobenzoate
CID 7769380

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate (CID 126188550) is [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate is Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)c1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate?
The InChIKey is JRGFDOPPIPFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2O4/c1-15-3-2-4-19(11-15)28-13-16-5-7-17(8-6-16)23(27)29-14-22(26)20-10-9-18(24)12-21(20)25/h2-12H,13-14H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate?
[2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate has a molecular weight of 429.30 g/mol, XLogP of 5.92, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-oxoethyl] 4-[(3-methylphenoxy)methyl]benzoate is sourced from PubChem (CID 126188550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).