2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate

C23H19ClO5 — CID 17161849

IUPAC2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1cccc(C(=O)OCCOc2ccccc2)c1
InChIInChI=1S/C23H19ClO5/c24-19-11-9-17(10-12-19)15-22(25)29-21-8-4-5-18(16-21)23(26)28-14-13-27-20-6-2-1-3-7-20/h1-12,16H,13-15H2
InChIKeyLPBPKIHSAYAPHX-UHFFFAOYSA-N
MW410.85 g/mol
LogP4.72
Rot. Bonds8

About 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate

2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate (PubChem CID 17161849) has the molecular formula C23H19ClO5 and a molecular weight of 410.85 g/mol. Its IUPAC name is 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate
PubChem CID17161849
Molecular FormulaC23H19ClO5
Molecular Weight410.85 g/mol
Exact Mass410.09
IUPAC Name2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate
SMILESO=C(Cc1ccc(Cl)cc1)Oc1cccc(C(=O)OCCOc2ccccc2)c1
InChIInChI=1S/C23H19ClO5/c24-19-11-9-17(10-12-19)15-22(25)29-21-8-4-5-18(16-21)23(26)28-14-13-27-20-6-2-1-3-7-20/h1-12,16H,13-15H2
InChIKeyLPBPKIHSAYAPHX-UHFFFAOYSA-N
XLogP4.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate 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-phenoxyethyl 3-[2-(4-chlorophenoxy)acetyl]oxybenzoate
CID 17161814
2-phenoxyethyl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17161809
[3-(2-phenylethoxycarbonyl)phenyl] 3-(2-phenoxyethoxy)benzoate
CID 17162297
[3-(2-phenoxyethoxycarbonyl)phenyl] 2-fluorobenzoate
CID 17161865
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-propoxybenzoate
CID 17161878
bis(2-phenoxyethyl) benzene-1,2-dicarboxylate;bis(2-phenoxyethyl) benzene-1,3-dicarboxylate
CID 167602955
2-(4-chlorophenoxy)ethyl 3-(methoxymethyl)benzoate
CID 55386131
2-phenylethyl 3-[4-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17162299
2-phenoxyethyl 3-sulfanylbenzoate
CID 107018511
[3-(2-phenoxyethoxycarbonyl)phenyl] 3-(2-methylpropoxy)benzoate
CID 17161912
3-phenylpropyl 3-[2-(2-bromo-4-chlorophenoxy)acetyl]oxybenzoate
CID 17161374

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate?
The IUPAC name of 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate (CID 17161849) is 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate?
The canonical SMILES for 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate is O=C(Cc1ccc(Cl)cc1)Oc1cccc(C(=O)OCCOc2ccccc2)c1.
What is the InChIKey of 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate?
The InChIKey is LPBPKIHSAYAPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClO5/c24-19-11-9-17(10-12-19)15-22(25)29-21-8-4-5-18(16-21)23(26)28-14-13-27-20-6-2-1-3-7-20/h1-12,16H,13-15H2.
What are the key properties of 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate?
2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate has a molecular weight of 410.85 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 3-[2-(4-chlorophenyl)acetyl]oxybenzoate is sourced from PubChem (CID 17161849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).