(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane

C10H10O2 — CID 91864912

IUPAC(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
SMILESc1cc([C@H]2CO2)ccc1[C@H]1CO1
InChIInChI=1S/C10H10O2/c1-2-8(10-6-12-10)4-3-7(1)9-5-11-9/h1-4,9-10H,5-6H2/t9-,10-/m1/s1
InChIKeyGXZQKSKXXFOTDE-NXEZZACHSA-N
MW162.19 g/mol
LogP1.83
Rot. Bonds2

About (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane

(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane (PubChem CID 91864912) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
PubChem CID91864912
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
SMILESc1cc([C@H]2CO2)ccc1[C@H]1CO1
InChIInChI=1S/C10H10O2/c1-2-8(10-6-12-10)4-3-7(1)9-5-11-9/h1-4,9-10H,5-6H2/t9-,10-/m1/s1
InChIKeyGXZQKSKXXFOTDE-NXEZZACHSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane 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-phenyloxirane
CID 7276
2-(4-cyclopenta-2,4-dien-1-ylphenyl)oxirane
CID 130210947
2-(4-ethylphenyl)oxirane
CID 10374595
2-[4-(bromomethyl)phenyl]oxirane
CID 91343317
ethane;2-phenyloxirane
CID 54171856
(2R,5S)-2,5-bis(4-ethylphenyl)-1,4-dioxane
CID 22838647
4-[(2S)-oxiran-2-yl]benzoic acid
CID 86313476
N-methyl-1-[4-(oxiran-2-yl)phenyl]methanimine
CID 123733967
4-(oxiran-2-yl)benzenesulfonyl fluoride
CID 167731606
4-(oxiran-2-yl)benzenesulfinic acid
CID 174812376
(2R)-2-[4-(trifluoromethylsulfanyl)phenyl]oxirane
CID 101402309
trimethoxy-[4-(oxiran-2-yl)phenyl]silane
CID 87194060

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane?
The IUPAC name of (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane (CID 91864912) is (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane.
What is the SMILES notation for (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane?
The canonical SMILES for (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane is c1cc([C@H]2CO2)ccc1[C@H]1CO1.
What is the InChIKey of (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane?
The InChIKey is GXZQKSKXXFOTDE-NXEZZACHSA-N. The full InChI is InChI=1S/C10H10O2/c1-2-8(10-6-12-10)4-3-7(1)9-5-11-9/h1-4,9-10H,5-6H2/t9-,10-/m1/s1.
What are the key properties of (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane?
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane has a molecular weight of 162.19 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane is sourced from PubChem (CID 91864912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).