propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate

C18H16Cl2O5 — CID 17160841

IUPACpropan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2O5/c1-11(2)24-18(22)12-3-6-14(7-4-12)25-17(21)10-23-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3
InChIKeyCYMPIAGEVBRDNJ-UHFFFAOYSA-N
MW383.23 g/mol
LogP4.54
Rot. Bonds6

About propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate

propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate (PubChem CID 17160841) has the molecular formula C18H16Cl2O5 and a molecular weight of 383.23 g/mol. Its IUPAC name is propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
PubChem CID17160841
Molecular FormulaC18H16Cl2O5
Molecular Weight383.23 g/mol
Exact Mass382.04
IUPAC Namepropan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
SMILESCC(C)OC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H16Cl2O5/c1-11(2)24-18(22)12-3-6-14(7-4-12)25-17(21)10-23-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3
InChIKeyCYMPIAGEVBRDNJ-UHFFFAOYSA-N
XLogP4.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.23
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 3-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate
CID 17162363
(4-methoxyphenyl) 2-(2,4-dichlorophenoxy)acetate
CID 914130
azane;propan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 175420675
[4-[(4-chlorophenyl)carbamoyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 19179674
[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenyl] 2-(2,4-dichlorophenoxy)acetate
CID 175220650
propan-2-yl 4-[2-(2-propan-2-ylphenoxy)acetyl]oxybenzoate
CID 17160818
1-aminopropan-2-yl 2-(2,4-dichlorophenoxy)acetate
CID 16656830
propan-2-yl 4-(4-chlorobutanoyloxy)benzoate
CID 69126293
[(2S)-pent-3-yn-2-yl] 2-(2,4-dichlorophenoxy)acetate
CID 98005192
(4-propan-2-yloxycarbonylphenyl) 3,5-dichlorobenzoate
CID 17160934
N'-[2-(2,4-dichlorophenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952085
propan-2-yl 4-(5-chloropentanoyloxy)benzoate
CID 69126414

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate?
The IUPAC name of propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate (CID 17160841) is propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate.
What is the SMILES notation for propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate?
The canonical SMILES for propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate is CC(C)OC(=O)c1ccc(OC(=O)COc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate?
The InChIKey is CYMPIAGEVBRDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O5/c1-11(2)24-18(22)12-3-6-14(7-4-12)25-17(21)10-23-16-8-5-13(19)9-15(16)20/h3-9,11H,10H2,1-2H3.
What are the key properties of propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate?
propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate has a molecular weight of 383.23 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[2-(2,4-dichlorophenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 17160841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).