(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane

C13H18O3 — CID 90410381

IUPAC(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
SMILESC[C@H](COCc1ccccc1)OC[C@H]1CO1
InChIInChI=1S/C13H18O3/c1-11(15-9-13-10-16-13)7-14-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeySVDDAPVYOKSUTE-YPMHNXCESA-N
MW222.28 g/mol
LogP2.01
Rot. Bonds7

About (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane

(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane (PubChem CID 90410381) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
PubChem CID90410381
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
SMILESC[C@H](COCc1ccccc1)OC[C@H]1CO1
InChIInChI=1S/C13H18O3/c1-11(15-9-13-10-16-13)7-14-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1
InChIKeySVDDAPVYOKSUTE-YPMHNXCESA-N
XLogP2.01
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(3-phenylmethoxybutyl)oxirane
CID 87093258
2-[(2S)-1-phenylmethoxypropan-2-yl]oxyethanol
CID 165127908
(2S)-2-methyl-5-[(2S)-1-phenylmethoxypropan-2-yl]oxyoxane
CID 163402353
2-[(2-methylpropan-2-yl)oxy]propoxymethylbenzene
CID 122595271
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
CID 134464354
methyl (2S)-2-[[(2S)-oxiran-2-yl]methyl]-3-phenylmethoxypropanoate
CID 59131751

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane?
The IUPAC name of (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane (CID 90410381) is (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane?
The canonical SMILES for (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane is C[C@H](COCc1ccccc1)OC[C@H]1CO1.
What is the InChIKey of (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane?
The InChIKey is SVDDAPVYOKSUTE-YPMHNXCESA-N. The full InChI is InChI=1S/C13H18O3/c1-11(15-9-13-10-16-13)7-14-8-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3/t11-,13+/m1/s1.
What are the key properties of (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane?
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane has a molecular weight of 222.28 g/mol, XLogP of 2.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 90410381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).