2-(oxiran-2-yl)-3-phenyloxirane

C10H10O2 — CID 87255492

IUPAC2-(oxiran-2-yl)-3-phenyloxirane
SMILESc1ccc(C2OC2C2CO2)cc1
InChIInChI=1S/C10H10O2/c1-2-4-7(5-3-1)9-10(12-9)8-6-11-8/h1-5,8-10H,6H2
InChIKeyZGRFHAUXAJBBLN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.53
Rot. Bonds2

About 2-(oxiran-2-yl)-3-phenyloxirane

2-(oxiran-2-yl)-3-phenyloxirane (PubChem CID 87255492) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-3-phenyloxirane.

Molecular Properties

Compound Name2-(oxiran-2-yl)-3-phenyloxirane
PubChem CID87255492
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name2-(oxiran-2-yl)-3-phenyloxirane
SMILESc1ccc(C2OC2C2CO2)cc1
InChIInChI=1S/C10H10O2/c1-2-4-7(5-3-1)9-10(12-9)8-6-11-8/h1-5,8-10H,6H2
InChIKeyZGRFHAUXAJBBLN-UHFFFAOYSA-N
XLogP1.53
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
2-(3-phenyloxiran-2-yl)-1,3-dioxolane
CID 15785878
(1R,2R,4R,7S,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 126969884
(2S,4S)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 58060694
(1R,10R)-10-phenyl-3,6,9,11-tetraoxatricyclo[5.4.0.02,4]undecane
CID 144720661
4,12-diphenyl-3,5,8,11,13-pentaoxatricyclo[7.4.0.02,6]tridecane
CID 630953
(1R,5R,7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092394
(7S)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101141161
(1R,5R,7R)-7-phenyl-2,6-dioxabicyclo[3.2.0]heptane
CID 101092393
(2R)-2-[(2R,3R)-3-phenyloxiran-2-yl]-2,3-dihydropyran-6-one
CID 11206694
(8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 45050715
(2S,4aR,7S,8R,8aS)-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 97267898

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-3-phenyloxirane?
The IUPAC name of 2-(oxiran-2-yl)-3-phenyloxirane (CID 87255492) is 2-(oxiran-2-yl)-3-phenyloxirane.
What is the SMILES notation for 2-(oxiran-2-yl)-3-phenyloxirane?
The canonical SMILES for 2-(oxiran-2-yl)-3-phenyloxirane is c1ccc(C2OC2C2CO2)cc1.
What is the InChIKey of 2-(oxiran-2-yl)-3-phenyloxirane?
The InChIKey is ZGRFHAUXAJBBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-4-7(5-3-1)9-10(12-9)8-6-11-8/h1-5,8-10H,6H2.
What are the key properties of 2-(oxiran-2-yl)-3-phenyloxirane?
2-(oxiran-2-yl)-3-phenyloxirane has a molecular weight of 162.19 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-3-phenyloxirane is sourced from PubChem (CID 87255492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).