2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane

C11H14O4 — CID 14982487

IUPAC2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
SMILESOOC(CC1OCCO1)c1ccccc1
InChIInChI=1S/C11H14O4/c12-15-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyHKDUGRLRCFLALN-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.98
Rot. Bonds4

About 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane

2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane (PubChem CID 14982487) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
PubChem CID14982487
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane
SMILESOOC(CC1OCCO1)c1ccccc1
InChIInChI=1S/C11H14O4/c12-15-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2
InChIKeyHKDUGRLRCFLALN-UHFFFAOYSA-N
XLogP1.98
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(NE)-N-[(2S)-3-(1,3-dioxolan-2-yl)-2-phenylpropylidene]hydroxylamine
CID 177384870
N-(1,3-dioxolan-2-ylmethyl)-1,1-diphenylmethanamine
CID 100620908
2-(1,3-dioxolan-2-yl)-2-phenylethanol
CID 102198960
2-[2-(benzenesulfonyl)-2-fluoroethyl]-1,3-dioxolane
CID 14593286
N-(1,3-dioxolan-2-ylmethyl)-3-phenylbutan-2-amine
CID 75504500
2-[2-(benzenesulfonyl)propyl]-1,3-dioxolane
CID 12842280
1-phenyl-2-(1,3,5-trioxan-2-yl)ethanethiol
CID 88743824
(2R)-2-methoxy-2-phenylethanol
CID 6950345
1-(1,3-dioxolan-2-yl)-3-(2-fluorophenyl)propan-2-amine
CID 103543902
5-(1,3-dioxolan-2-yl)pentyl-triphenylphosphanium
CID 101498477
8-(1,3-dioxolan-2-yl)octyl-triphenylphosphanium
CID 58070076
2-(1-phenylpropyl)-1,3-dioxolane
CID 14365156

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane?
The IUPAC name of 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane (CID 14982487) is 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane?
The canonical SMILES for 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane is OOC(CC1OCCO1)c1ccccc1.
What is the InChIKey of 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane?
The InChIKey is HKDUGRLRCFLALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c12-15-10(8-11-13-6-7-14-11)9-4-2-1-3-5-9/h1-5,10-12H,6-8H2.
What are the key properties of 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane?
2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane has a molecular weight of 210.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroperoxy-2-phenylethyl)-1,3-dioxolane is sourced from PubChem (CID 14982487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).