2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane

C17H18O3 — CID 13197472

IUPAC2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane
SMILESc1ccc(COCC2COC(c3ccccc3)O2)cc1
InChIInChI=1S/C17H18O3/c1-3-7-14(8-4-1)11-18-12-16-13-19-17(20-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyOSOXAAYQXOUBOV-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.32
Rot. Bonds5

About 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane

2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 13197472) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID13197472
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane
SMILESc1ccc(COCC2COC(c3ccccc3)O2)cc1
InChIInChI=1S/C17H18O3/c1-3-7-14(8-4-1)11-18-12-16-13-19-17(20-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2
InChIKeyOSOXAAYQXOUBOV-UHFFFAOYSA-N
XLogP3.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane (CID 13197472) is 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane is c1ccc(COCC2COC(c3ccccc3)O2)cc1.
What is the InChIKey of 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is OSOXAAYQXOUBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-3-7-14(8-4-1)11-18-12-16-13-19-17(20-16)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2.
What are the key properties of 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane?
2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 270.33 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 13197472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).