1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate

C31H28O4 — CID 19753165

IUPAC1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
SMILESCCC(OC(=O)CC(OC=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28O4/c1-2-30(25-15-7-3-8-16-25,26-17-9-4-10-18-26)35-29(33)23-31(34-24-32,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24H,2,23H2,1H3
InChIKeyTYQLWRQKTBOPCV-UHFFFAOYSA-N
MW464.56 g/mol
LogP6.39
Rot. Bonds10

About 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate

1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate (PubChem CID 19753165) has the molecular formula C31H28O4 and a molecular weight of 464.56 g/mol. Its IUPAC name is 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate.

Molecular Properties

Compound Name1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
PubChem CID19753165
Molecular FormulaC31H28O4
Molecular Weight464.56 g/mol
Exact Mass464.20
IUPAC Name1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate
SMILESCCC(OC(=O)CC(OC=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H28O4/c1-2-30(25-15-7-3-8-16-25,26-17-9-4-10-18-26)35-29(33)23-31(34-24-32,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24H,2,23H2,1H3
InChIKeyTYQLWRQKTBOPCV-UHFFFAOYSA-N
XLogP6.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.56
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-(dimethylamino)-1,1-diphenylpropyl] formate
CID 54028396
1,1-diphenyloctyl 2-formyloxy-2,2-diphenylacetate
CID 54062050
1,1-diphenylpropyl N-amino-N-(2-oxo-1-phenylethyl)carbamate
CID 87404910
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
formic acid;2-methylbutan-2-ylbenzene
CID 158175832
(3-cyano-1,1-diphenylpropyl) formate
CID 173340031
CID 19591298
CID 19591298
1,1-diphenylpropoxysilane
CID 123474464
1,1-diphenylpropyl N-amino-N-(1-oxo-4-phenylbutan-2-yl)carbamate
CID 87405254
(2R)-2-fluoro-2-phenylbutanal
CID 130623517
tris(1,1-diphenylpropyl) phosphite
CID 70574153
3-phenylpentan-3-yl 2-tert-butyl-2,4,4-trimethylpentanoate
CID 155129067

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate?
The IUPAC name of 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate (CID 19753165) is 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate.
What is the SMILES notation for 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate?
The canonical SMILES for 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate is CCC(OC(=O)CC(OC=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate?
The InChIKey is TYQLWRQKTBOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28O4/c1-2-30(25-15-7-3-8-16-25,26-17-9-4-10-18-26)35-29(33)23-31(34-24-32,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,24H,2,23H2,1H3.
What are the key properties of 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate?
1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate has a molecular weight of 464.56 g/mol, XLogP of 6.39, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylpropyl 3-formyloxy-3,3-diphenylpropanoate is sourced from PubChem (CID 19753165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).