(3S,4S)-3,4-diphenyldioxetane

C14H12O2 — CID 71394517

IUPAC(3S,4S)-3,4-diphenyldioxetane
SMILESc1ccc([C@@H]2OO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C14H12O2/c1-3-7-11(8-4-1)13-14(16-15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyMONRMVFGAXUJGF-KBPBESRZSA-N
MW212.25 g/mol
LogP3.43
Rot. Bonds2

About (3S,4S)-3,4-diphenyldioxetane

(3S,4S)-3,4-diphenyldioxetane (PubChem CID 71394517) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (3S,4S)-3,4-diphenyldioxetane.

Molecular Properties

Compound Name(3S,4S)-3,4-diphenyldioxetane
PubChem CID71394517
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(3S,4S)-3,4-diphenyldioxetane
SMILESc1ccc([C@@H]2OO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C14H12O2/c1-3-7-11(8-4-1)13-14(16-15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1
InChIKeyMONRMVFGAXUJGF-KBPBESRZSA-N
XLogP3.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4S)-3,4-diphenyldioxetane 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

2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(2R,3S,4S,5R)-2,3,4,5-tetraphenyloxolane
CID 102288914
5-phenyltetraoxolane
CID 102034769
(1S,2S,5R,6R)-2-methyl-5-phenyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11127104
(4R,5S)-4,5-diphenyl-1,3,2-dioxathiolane 2,2-dioxide
CID 10492701
1,4-diphenyl-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione
CID 13310359
diphenyliodanium;hydroiodide
CID 54604341
2-(4-methylphenyl)-3-phenyloxirane
CID 602487
(3S)-3-phenyloxaziridine
CID 143593965

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3,4-diphenyldioxetane?
The IUPAC name of (3S,4S)-3,4-diphenyldioxetane (CID 71394517) is (3S,4S)-3,4-diphenyldioxetane.
What is the SMILES notation for (3S,4S)-3,4-diphenyldioxetane?
The canonical SMILES for (3S,4S)-3,4-diphenyldioxetane is c1ccc([C@@H]2OO[C@H]2c2ccccc2)cc1.
What is the InChIKey of (3S,4S)-3,4-diphenyldioxetane?
The InChIKey is MONRMVFGAXUJGF-KBPBESRZSA-N. The full InChI is InChI=1S/C14H12O2/c1-3-7-11(8-4-1)13-14(16-15-13)12-9-5-2-6-10-12/h1-10,13-14H/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-3,4-diphenyldioxetane?
(3S,4S)-3,4-diphenyldioxetane has a molecular weight of 212.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3,4-diphenyldioxetane is sourced from PubChem (CID 71394517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).