2-phenyl-4-propan-2-yl-1,3-dioxetane

C11H14O2 — CID 67555130

IUPAC2-phenyl-4-propan-2-yl-1,3-dioxetane
SMILESCC(C)C1OC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyGGLQAXBTDQXRAQ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.71
Rot. Bonds2

About 2-phenyl-4-propan-2-yl-1,3-dioxetane

2-phenyl-4-propan-2-yl-1,3-dioxetane (PubChem CID 67555130) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-phenyl-4-propan-2-yl-1,3-dioxetane.

Molecular Properties

Compound Name2-phenyl-4-propan-2-yl-1,3-dioxetane
PubChem CID67555130
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-phenyl-4-propan-2-yl-1,3-dioxetane
SMILESCC(C)C1OC(c2ccccc2)O1
InChIInChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3
InChIKeyGGLQAXBTDQXRAQ-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
phenyl-(5-phenyl-2-propan-2-yl-1,3-dioxolan-4-yl)methanone
CID 67914032
(4S,5S)-4-(4-phenyl-1,3-dioxetan-2-yl)-5-propan-2-yl-1,3-oxazolidin-2-one
CID 71045704
(4S,5S)-4,5-bis(methoxymethyl)-2-phenyl-1,3-dioxolane
CID 14265871
(3aR)-5,5-difluoro-2-phenyl-3a,4,6,6a-tetrahydrocyclopenta[d][1,3]dioxole
CID 146554518
[(4S,5S)-5-(hydroxymethyl)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 719727
1-[(2R,4R,5S,6S)-5-methyl-2-phenyl-6-propan-2-yl-1,3-dioxan-4-yl]propan-2-one
CID 10446163
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
[(4S,6R)-6-[bis(2-methylpropyl)alumanyloxy]-2-phenyl-1,3-dioxan-4-yl]oxy-bis(2-methylpropyl)alumane
CID 16687093
(2R)-2-methyl-3-phenyloxirane
CID 12040001
5-phenyltetraoxolane
CID 102034769

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The IUPAC name of 2-phenyl-4-propan-2-yl-1,3-dioxetane (CID 67555130) is 2-phenyl-4-propan-2-yl-1,3-dioxetane.
What is the SMILES notation for 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The canonical SMILES for 2-phenyl-4-propan-2-yl-1,3-dioxetane is CC(C)C1OC(c2ccccc2)O1.
What is the InChIKey of 2-phenyl-4-propan-2-yl-1,3-dioxetane?
The InChIKey is GGLQAXBTDQXRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-8(2)10-12-11(13-10)9-6-4-3-5-7-9/h3-8,10-11H,1-2H3.
What are the key properties of 2-phenyl-4-propan-2-yl-1,3-dioxetane?
2-phenyl-4-propan-2-yl-1,3-dioxetane has a molecular weight of 178.23 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-propan-2-yl-1,3-dioxetane is sourced from PubChem (CID 67555130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).