[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate

C14H18O4 — CID 70623242

IUPAC[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)C1COCCO1
InChIInChI=1S/C14H18O4/c1-11(15)18-9-13(12-5-3-2-4-6-12)14-10-16-7-8-17-14/h2-6,13-14H,7-10H2,1H3
InChIKeyLOYRBPAQADLPRS-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.75
Rot. Bonds4

About [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate

[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate (PubChem CID 70623242) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate.

Molecular Properties

Compound Name[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate
PubChem CID70623242
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate
SMILESCC(=O)OCC(c1ccccc1)C1COCCO1
InChIInChI=1S/C14H18O4/c1-11(15)18-9-13(12-5-3-2-4-6-12)14-10-16-7-8-17-14/h2-6,13-14H,7-10H2,1H3
InChIKeyLOYRBPAQADLPRS-UHFFFAOYSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate?
The IUPAC name of [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate (CID 70623242) is [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate.
What is the SMILES notation for [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate?
The canonical SMILES for [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate is CC(=O)OCC(c1ccccc1)C1COCCO1.
What is the InChIKey of [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate?
The InChIKey is LOYRBPAQADLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-11(15)18-9-13(12-5-3-2-4-6-12)14-10-16-7-8-17-14/h2-6,13-14H,7-10H2,1H3.
What are the key properties of [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate?
[2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate has a molecular weight of 250.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,4-dioxan-2-yl)-2-phenylethyl] acetate is sourced from PubChem (CID 70623242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).