2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate

C26H26O6 — CID 17200308

IUPAC2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
SMILESCCOCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C26H26O6/c1-2-29-18-19-30-22-14-12-21(13-15-22)25(27)32-24-11-7-6-10-23(24)26(28)31-17-16-20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3
InChIKeyVNSUXHYTJSYSHR-UHFFFAOYSA-N
MW434.49 g/mol
LogP4.72
Rot. Bonds11

About 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate

2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate (PubChem CID 17200308) has the molecular formula C26H26O6 and a molecular weight of 434.49 g/mol. Its IUPAC name is 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate.

Molecular Properties

Compound Name2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
PubChem CID17200308
Molecular FormulaC26H26O6
Molecular Weight434.49 g/mol
Exact Mass434.17
IUPAC Name2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate
SMILESCCOCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1
InChIInChI=1S/C26H26O6/c1-2-29-18-19-30-22-14-12-21(13-15-22)25(27)32-24-11-7-6-10-23(24)26(28)31-17-16-20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3
InChIKeyVNSUXHYTJSYSHR-UHFFFAOYSA-N
XLogP4.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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
[4-(3-phenylpropoxycarbonyl)phenyl] 4-(2-ethoxyethoxy)benzoate
CID 17138048
(2-acetylphenyl) 4-(2-phenylethoxy)benzoate
CID 23012287
ethyl 2-(4-propoxybenzoyl)oxybenzoate
CID 23011682
[2-(2-phenoxyethoxycarbonyl)phenyl] 2-(2-phenylethoxy)benzoate
CID 17138630
2-phenoxyethyl 2-[3-(2-phenylethoxy)benzoyl]oxybenzoate
CID 17138631
2-phenoxyethyl 2-(4-chlorobenzoyl)oxybenzoate
CID 17138527
2-phenylethyl 2-butoxybenzoate
CID 141306389
[2-(2-phenylethoxycarbonyl)phenyl] 3-bromo-4-propoxybenzoate
CID 17200288
2-phenylethyl 2-[2-(4-methoxyphenyl)acetyl]oxybenzoate
CID 17200232
[4-(2-ethoxyethoxycarbonyl)phenyl] 4-phenylbenzoate
CID 17160391
(2-acetylphenyl) 4-(2-methoxyethoxy)benzoate
CID 23012920

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The IUPAC name of 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate (CID 17200308) is 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate.
What is the SMILES notation for 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The canonical SMILES for 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate is CCOCCOc1ccc(C(=O)Oc2ccccc2C(=O)OCCc2ccccc2)cc1.
What is the InChIKey of 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
The InChIKey is VNSUXHYTJSYSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O6/c1-2-29-18-19-30-22-14-12-21(13-15-22)25(27)32-24-11-7-6-10-23(24)26(28)31-17-16-20-8-4-3-5-9-20/h3-15H,2,16-19H2,1H3.
What are the key properties of 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate?
2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate has a molecular weight of 434.49 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl 2-[4-(2-ethoxyethoxy)benzoyl]oxybenzoate is sourced from PubChem (CID 17200308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).