(2R)-2-(phenylmethoxymethoxymethyl)oxirane

C11H14O3 — CID 129387534

IUPAC(2R)-2-(phenylmethoxymethoxymethyl)oxirane
SMILESc1ccc(COCOC[C@H]2CO2)cc1
InChIInChI=1S/C11H14O3/c1-2-4-10(5-3-1)6-12-9-13-7-11-8-14-11/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyQVQGAZFPIYIYMB-NSHDSACASA-N
MW194.23 g/mol
LogP1.58
Rot. Bonds6

About (2R)-2-(phenylmethoxymethoxymethyl)oxirane

(2R)-2-(phenylmethoxymethoxymethyl)oxirane (PubChem CID 129387534) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2R)-2-(phenylmethoxymethoxymethyl)oxirane.

Molecular Properties

Compound Name(2R)-2-(phenylmethoxymethoxymethyl)oxirane
PubChem CID129387534
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name(2R)-2-(phenylmethoxymethoxymethyl)oxirane
SMILESc1ccc(COCOC[C@H]2CO2)cc1
InChIInChI=1S/C11H14O3/c1-2-4-10(5-3-1)6-12-9-13-7-11-8-14-11/h1-5,11H,6-9H2/t11-/m0/s1
InChIKeyQVQGAZFPIYIYMB-NSHDSACASA-N
XLogP1.58
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

oxolane;(2R)-2-(phenylmethoxymethyl)oxirane
CID 175076963
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
(E)-but-2-enedioic acid;bis(2-(phenylmethoxymethoxymethyl)morpholine)
CID 6449225
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enylbenzene
CID 87233413
(2R,4R)-2-(2-bromoethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
CID 70623575
aniline;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 158083266
bromobenzene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88618664

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(phenylmethoxymethoxymethyl)oxirane?
The IUPAC name of (2R)-2-(phenylmethoxymethoxymethyl)oxirane (CID 129387534) is (2R)-2-(phenylmethoxymethoxymethyl)oxirane.
What is the SMILES notation for (2R)-2-(phenylmethoxymethoxymethyl)oxirane?
The canonical SMILES for (2R)-2-(phenylmethoxymethoxymethyl)oxirane is c1ccc(COCOC[C@H]2CO2)cc1.
What is the InChIKey of (2R)-2-(phenylmethoxymethoxymethyl)oxirane?
The InChIKey is QVQGAZFPIYIYMB-NSHDSACASA-N. The full InChI is InChI=1S/C11H14O3/c1-2-4-10(5-3-1)6-12-9-13-7-11-8-14-11/h1-5,11H,6-9H2/t11-/m0/s1.
What are the key properties of (2R)-2-(phenylmethoxymethoxymethyl)oxirane?
(2R)-2-(phenylmethoxymethoxymethyl)oxirane has a molecular weight of 194.23 g/mol, XLogP of 1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(phenylmethoxymethoxymethyl)oxirane is sourced from PubChem (CID 129387534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).