2-(1,1-diphenylpropoxy)ethyl propanoate

C20H24O3 — CID 174801671

IUPAC2-(1,1-diphenylpropoxy)ethyl propanoate
SMILESCCC(=O)OCCOC(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-3-19(21)22-15-16-23-20(4-2,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyRYIBHMVWAOTOKJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP4.31
Rot. Bonds8

About 2-(1,1-diphenylpropoxy)ethyl propanoate

2-(1,1-diphenylpropoxy)ethyl propanoate (PubChem CID 174801671) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(1,1-diphenylpropoxy)ethyl propanoate.

Molecular Properties

Compound Name2-(1,1-diphenylpropoxy)ethyl propanoate
PubChem CID174801671
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-(1,1-diphenylpropoxy)ethyl propanoate
SMILESCCC(=O)OCCOC(CC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24O3/c1-3-19(21)22-15-16-23-20(4-2,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyRYIBHMVWAOTOKJ-UHFFFAOYSA-N
XLogP4.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 19591298
CID 19591298
2-[2-(bromomethyl)phenyl]ethyl propanoate
CID 174385398
(1-ethoxy-1-phenylpropyl)benzene;3-phenylpentan-3-ol
CID 67792118
2-(2-propanoyloxyethoxy)benzoic acid
CID 141005328
2-(2-ethoxyphenyl)ethyl propanoate
CID 174910782
2-(2-phenylethylsilyloxy)ethyl propanoate
CID 154195963
2-(4-tert-butyl-2-methylphenyl)ethyl propanoate
CID 57130861
(3-ethyl-3-phenylpentyl) acetate
CID 142276896
1,1-diphenylpropoxysilane
CID 123474464
[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
CID 141400887
3-(2-phenylethylamino)propyl propanoate
CID 82532105
1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
CID 19753165

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diphenylpropoxy)ethyl propanoate?
The IUPAC name of 2-(1,1-diphenylpropoxy)ethyl propanoate (CID 174801671) is 2-(1,1-diphenylpropoxy)ethyl propanoate.
What is the SMILES notation for 2-(1,1-diphenylpropoxy)ethyl propanoate?
The canonical SMILES for 2-(1,1-diphenylpropoxy)ethyl propanoate is CCC(=O)OCCOC(CC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(1,1-diphenylpropoxy)ethyl propanoate?
The InChIKey is RYIBHMVWAOTOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-19(21)22-15-16-23-20(4-2,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 2-(1,1-diphenylpropoxy)ethyl propanoate?
2-(1,1-diphenylpropoxy)ethyl propanoate has a molecular weight of 312.41 g/mol, XLogP of 4.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diphenylpropoxy)ethyl propanoate is sourced from PubChem (CID 174801671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).