(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane

C20H22O4 — CID 11313389

IUPAC(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
SMILESc1ccc(CO[C@H]([C@@H](OCc2ccccc2)[C@@H]2CO2)[C@@H]2CO2)cc1
InChIInChI=1S/C20H22O4/c1-3-7-15(8-4-1)11-23-19(17-13-21-17)20(18-14-22-18)24-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m0/s1
InChIKeyMDWQEONVMMULLO-MUGJNUQGSA-N
MW326.39 g/mol
LogP2.95
Rot. Bonds9

About (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane

(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane (PubChem CID 11313389) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
PubChem CID11313389
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane
SMILESc1ccc(CO[C@H]([C@@H](OCc2ccccc2)[C@@H]2CO2)[C@@H]2CO2)cc1
InChIInChI=1S/C20H22O4/c1-3-7-15(8-4-1)11-23-19(17-13-21-17)20(18-14-22-18)24-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m0/s1
InChIKeyMDWQEONVMMULLO-MUGJNUQGSA-N
XLogP2.95
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]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

(4R)-2,2-dimethyl-4-[(1S,2R)-2-[(2R)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]-1,3-dioxolane
CID 102375766
2-[(1R)-1-phenylmethoxyethyl]oxirane
CID 88860566
2-(2-bromo-1-phenylmethoxyethyl)oxirane
CID 562170
N-[1-cyclohexyl-2-(oxiran-2-yl)-2-phenylmethoxyethyl]formamide
CID 57287891
(2S,3R,4R)-4-[(2S)-oxiran-2-yl]-2,3,4-tris(phenylmethoxy)-N-tritylbutan-1-amine
CID 11767578
(3S,4R,5S)-5-[(2S)-oxiran-2-yl]-1,3,4,5-tetrakis(phenylmethoxy)pentan-2-one
CID 102478567
2-[1-(oxiran-2-yl)-2-phenylethyl]imino-1-phenylmethoxyethanol
CID 142000904
2-(3-phenylmethoxybutyl)oxirane
CID 87093258
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
(2R)-2-[(E,1S)-1-phenylmethoxyundec-2-enyl]oxirane
CID 66559963
(S)-[(2S)-oxiran-2-yl]-(4-phenylmethoxyphenyl)methanol
CID 11172882
[(2R,3R)-1,4-dibromo-3-phenylmethoxybutan-2-yl]oxymethylbenzene
CID 101207998

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane?
The IUPAC name of (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane (CID 11313389) is (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane.
What is the SMILES notation for (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane?
The canonical SMILES for (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane is c1ccc(CO[C@H]([C@@H](OCc2ccccc2)[C@@H]2CO2)[C@@H]2CO2)cc1.
What is the InChIKey of (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane?
The InChIKey is MDWQEONVMMULLO-MUGJNUQGSA-N. The full InChI is InChI=1S/C20H22O4/c1-3-7-15(8-4-1)11-23-19(17-13-21-17)20(18-14-22-18)24-12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2/t17-,18-,19-,20-/m0/s1.
What are the key properties of (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane?
(2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane has a molecular weight of 326.39 g/mol, XLogP of 2.95, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S,2S)-2-[(2S)-oxiran-2-yl]-1,2-bis(phenylmethoxy)ethyl]oxirane is sourced from PubChem (CID 11313389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).