methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate

C21H24O4 — CID 54441712

IUPACmethyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate
SMILESCOC(=O)C(OC1CCCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O4/c1-23-21(22)20(25-18-14-8-9-15-24-18)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18-20H,8-9,14-15H2,1H3
InChIKeyWOOGTEFKYOVYNR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.90
Rot. Bonds6

About methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate

methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate (PubChem CID 54441712) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate.

Molecular Properties

Compound Namemethyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate
PubChem CID54441712
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Namemethyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate
SMILESCOC(=O)C(OC1CCCCO1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O4/c1-23-21(22)20(25-18-14-8-9-15-24-18)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18-20H,8-9,14-15H2,1H3
InChIKeyWOOGTEFKYOVYNR-UHFFFAOYSA-N
XLogP3.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate?
The IUPAC name of methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate (CID 54441712) is methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate.
What is the SMILES notation for methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate?
The canonical SMILES for methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate is COC(=O)C(OC1CCCCO1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate?
The InChIKey is WOOGTEFKYOVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-23-21(22)20(25-18-14-8-9-15-24-18)19(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,18-20H,8-9,14-15H2,1H3.
What are the key properties of methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate?
methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate has a molecular weight of 340.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(oxan-2-yloxy)-3,3-diphenylpropanoate is sourced from PubChem (CID 54441712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).