2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate

C24H22O7 — CID 17138554

IUPAC2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
SMILESCOc1ccccc1OCC(=O)Oc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C24H22O7/c1-27-21-13-7-8-14-22(21)30-17-23(25)31-20-12-6-5-11-19(20)24(26)29-16-15-28-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeyJYHKOZUGQFVWIS-UHFFFAOYSA-N
MW422.43 g/mol
LogP3.92
Rot. Bonds10

About 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate

2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate (PubChem CID 17138554) has the molecular formula C24H22O7 and a molecular weight of 422.43 g/mol. Its IUPAC name is 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate.

Molecular Properties

Compound Name2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
PubChem CID17138554
Molecular FormulaC24H22O7
Molecular Weight422.43 g/mol
Exact Mass422.14
IUPAC Name2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate
SMILESCOc1ccccc1OCC(=O)Oc1ccccc1C(=O)OCCOc1ccccc1
InChIInChI=1S/C24H22O7/c1-27-21-13-7-8-14-22(21)30-17-23(25)31-20-12-6-5-11-19(20)24(26)29-16-15-28-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3
InChIKeyJYHKOZUGQFVWIS-UHFFFAOYSA-N
XLogP3.92
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.43
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-(2-methoxyphenoxy)-N-(2-phenoxyethoxy)acetamide
CID 110294693
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
methyl 2-[2-(4-phenylphenoxy)acetyl]oxybenzoate
CID 23011279
[2-(2-phenoxyethoxycarbonyl)phenyl] thiophene-2-carboxylate
CID 17138532
2-phenylethyl 2-[2-(2,5-dimethylphenoxy)acetyl]oxybenzoate
CID 17200246
(2-methoxyphenyl) 2-(4-bromophenoxy)acetate
CID 78777315
2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 17200232
[2-(2-methylpropylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 2595744
butyl 2-(2-methoxyphenoxy)acetate
CID 54941635

Frequently Asked Questions

What is the IUPAC name of 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate?
The IUPAC name of 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate (CID 17138554) is 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate.
What is the SMILES notation for 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate?
The canonical SMILES for 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate is COc1ccccc1OCC(=O)Oc1ccccc1C(=O)OCCOc1ccccc1.
What is the InChIKey of 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate?
The InChIKey is JYHKOZUGQFVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O7/c1-27-21-13-7-8-14-22(21)30-17-23(25)31-20-12-6-5-11-19(20)24(26)29-16-15-28-18-9-3-2-4-10-18/h2-14H,15-17H2,1H3.
What are the key properties of 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate?
2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate has a molecular weight of 422.43 g/mol, XLogP of 3.92, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyethyl 2-[2-(2-methoxyphenoxy)acetyl]oxybenzoate is sourced from PubChem (CID 17138554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).