benzyl 2,2-diphenylpropanoate

C22H20O2 — CID 22943116

IUPACbenzyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(23)24-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyQWEVFSKGWBLHQB-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.74
Rot. Bonds5

About benzyl 2,2-diphenylpropanoate

benzyl 2,2-diphenylpropanoate (PubChem CID 22943116) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is benzyl 2,2-diphenylpropanoate.

Molecular Properties

Compound Namebenzyl 2,2-diphenylpropanoate
PubChem CID22943116
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Namebenzyl 2,2-diphenylpropanoate
SMILESCC(C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20O2/c1-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(23)24-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3
InChIKeyQWEVFSKGWBLHQB-UHFFFAOYSA-N
XLogP4.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 2,2-diphenylpropanoate?
The IUPAC name of benzyl 2,2-diphenylpropanoate (CID 22943116) is benzyl 2,2-diphenylpropanoate.
What is the SMILES notation for benzyl 2,2-diphenylpropanoate?
The canonical SMILES for benzyl 2,2-diphenylpropanoate is CC(C(=O)OCc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of benzyl 2,2-diphenylpropanoate?
The InChIKey is QWEVFSKGWBLHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-22(19-13-7-3-8-14-19,20-15-9-4-10-16-20)21(23)24-17-18-11-5-2-6-12-18/h2-16H,17H2,1H3.
What are the key properties of benzyl 2,2-diphenylpropanoate?
benzyl 2,2-diphenylpropanoate has a molecular weight of 316.40 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2,2-diphenylpropanoate is sourced from PubChem (CID 22943116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).