2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate

C20H22O4 — CID 2414471

IUPAC2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCCOC(=O)CCc1ccccc1
InChIInChI=1S/C20H22O4/c21-19(13-11-17-7-3-1-4-8-17)23-15-16-24-20(22)14-12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyMOZWPHCRLUNDBY-UHFFFAOYSA-N
MW326.39 g/mol
LogP3.34
Rot. Bonds9

About 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate

2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate (PubChem CID 2414471) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate.

Molecular Properties

Compound Name2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate
PubChem CID2414471
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate
SMILESO=C(CCc1ccccc1)OCCOC(=O)CCc1ccccc1
InChIInChI=1S/C20H22O4/c21-19(13-11-17-7-3-1-4-8-17)23-15-16-24-20(22)14-12-18-9-5-2-6-10-18/h1-10H,11-16H2
InChIKeyMOZWPHCRLUNDBY-UHFFFAOYSA-N
XLogP3.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

Phenethyl phenylacetate
CID 7601
Phenethyl hexanoate
CID 61384
Ethyl phenylacetate
CID 7590
Iophendylate
CID 7458
Isoamyl phenylacetate
CID 7600
Methyl 3-phenylpropionate
CID 7643
Ethyl 3-phenylpropionate
CID 16237
Isobutyl phenylacetate
CID 60998
Phenethyl valerate
CID 81964
Hexyl phenylacetate
CID 221691
Phenethyl octanoate
CID 229888
Glycerol Phenylbutyrate
CID 10482134

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate?
The IUPAC name of 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate (CID 2414471) is 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate.
What is the SMILES notation for 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate?
The canonical SMILES for 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate is O=C(CCc1ccccc1)OCCOC(=O)CCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate?
The InChIKey is MOZWPHCRLUNDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c21-19(13-11-17-7-3-1-4-8-17)23-15-16-24-20(22)14-12-18-9-5-2-6-10-18/h1-10H,11-16H2.
What are the key properties of 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate?
2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate has a molecular weight of 326.39 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropanoyloxy)ethyl 3-phenylpropanoate is sourced from PubChem (CID 2414471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).