2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate

C22H17ClO5 — CID 17138527

IUPAC2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClO5/c23-17-12-10-16(11-13-17)21(24)28-20-9-5-4-8-19(20)22(25)27-15-14-26-18-6-2-1-3-7-18/h1-13H,14-15H2
InChIKeyLJFGOQUHQIZVFN-UHFFFAOYSA-N
MW396.83 g/mol
LogP4.80
Rot. Bonds7

About 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate

2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate (PubChem CID 17138527) has the molecular formula C22H17ClO5 and a molecular weight of 396.83 g/mol. Its IUPAC name is 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
PubChem CID17138527
Molecular FormulaC22H17ClO5
Molecular Weight396.83 g/mol
Exact Mass396.08
IUPAC Name2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
SMILESO=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClO5/c23-17-12-10-16(11-13-17)21(24)28-20-9-5-4-8-19(20)22(25)27-15-14-26-18-6-2-1-3-7-18/h1-13H,14-15H2
InChIKeyLJFGOQUHQIZVFN-UHFFFAOYSA-N
XLogP4.80
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 54.80
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'}

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Related Compounds

2-phenoxyethyl 2-benzoyloxybenzoate
CID 17138536
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
CID 17200308
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
2-(4-bromophenoxy)ethyl 2-(4-chlorobenzoyl)benzoate
CID 2548738
[2-(2-phenoxyethoxycarbonyl)phenyl] 3-bromo-4-propan-2-yloxybenzoate
CID 17138612
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
[4-(2-phenoxyethoxycarbonyl)phenyl] 3-chlorobenzoate
CID 17151501
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
CID 17138554
(4-methoxycarbonylphenyl)methyl 2-(2-phenoxyethoxy)benzoate
CID 2379646
[2-(3-phenylprop-2-ynoyl)phenyl] 4-chlorobenzoate
CID 102363049

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate?
The IUPAC name of 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate (CID 17138527) is 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate?
The canonical SMILES for 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate is O=C(Oc1ccccc1C(=O)OCCOc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate?
The InChIKey is LJFGOQUHQIZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClO5/c23-17-12-10-16(11-13-17)21(24)28-20-9-5-4-8-19(20)22(25)27-15-14-26-18-6-2-1-3-7-18/h1-13H,14-15H2.
What are the key properties of 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate?
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate has a molecular weight of 396.83 g/mol, XLogP of 4.80, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate is sourced from PubChem (CID 17138527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).