2-(2-benzoyloxyethoxy)ethyl benzoate

C18H18O5 — CID 8437

IUPAC2-(2-benzoyloxyethoxy)ethyl benzoate
SMILESO=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyNXQMCAOPTPLPRL-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.72
Rot. Bonds8

About 2-(2-benzoyloxyethoxy)ethyl benzoate

2-(2-benzoyloxyethoxy)ethyl benzoate (PubChem CID 8437) has the molecular formula C18H18O5 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(2-benzoyloxyethoxy)ethyl benzoate.

Molecular Properties

Compound Name2-(2-benzoyloxyethoxy)ethyl benzoate
PubChem CID8437
Molecular FormulaC18H18O5
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name2-(2-benzoyloxyethoxy)ethyl benzoate
SMILESO=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKeyNXQMCAOPTPLPRL-UHFFFAOYSA-N
XLogP2.72
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-benzoyloxyethoxy)ethyl benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzoyloxyethoxy)ethyl benzoate?
The IUPAC name of 2-(2-benzoyloxyethoxy)ethyl benzoate (CID 8437) is 2-(2-benzoyloxyethoxy)ethyl benzoate.
What is the SMILES notation for 2-(2-benzoyloxyethoxy)ethyl benzoate?
The canonical SMILES for 2-(2-benzoyloxyethoxy)ethyl benzoate is O=C(OCCOCCOC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-benzoyloxyethoxy)ethyl benzoate?
The InChIKey is NXQMCAOPTPLPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5/c19-17(15-7-3-1-4-8-15)22-13-11-21-12-14-23-18(20)16-9-5-2-6-10-16/h1-10H,11-14H2.
What are the key properties of 2-(2-benzoyloxyethoxy)ethyl benzoate?
2-(2-benzoyloxyethoxy)ethyl benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzoyloxyethoxy)ethyl benzoate is sourced from PubChem (CID 8437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).