oxolane;(2R)-2-(phenylmethoxymethyl)oxirane

C14H20O3 — CID 175076963

IUPACoxolane;(2R)-2-(phenylmethoxymethyl)oxirane
SMILESC1CCOC1.c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C10H12O2.C4H8O/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-5-3-1/h1-5,10H,6-8H2;1-4H2/t10-;/m0./s1
InChIKeyZZECIBBVOPQMPA-PPHPATTJSA-N
MW236.31 g/mol
LogP2.40
Rot. Bonds4

About oxolane;(2R)-2-(phenylmethoxymethyl)oxirane

oxolane;(2R)-2-(phenylmethoxymethyl)oxirane (PubChem CID 175076963) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is oxolane;(2R)-2-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Nameoxolane;(2R)-2-(phenylmethoxymethyl)oxirane
PubChem CID175076963
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Nameoxolane;(2R)-2-(phenylmethoxymethyl)oxirane
SMILESC1CCOC1.c1ccc(COC[C@H]2CO2)cc1
InChIInChI=1S/C10H12O2.C4H8O/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-5-3-1/h1-5,10H,6-8H2;1-4H2/t10-;/m0./s1
InChIKeyZZECIBBVOPQMPA-PPHPATTJSA-N
XLogP2.40
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.40
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

(2R)-2-(phenylmethoxymethoxymethyl)oxirane
CID 129387534
2-(chloromethyl)oxirane;phenylmethanol;2-(phenylmethoxymethyl)oxirane
CID 163898082
4-(phenylmethoxymethyl)oxepane
CID 151980287
2-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 101012741
2-[[4-[[4-[[4-(oxiran-2-ylmethoxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxymethyl]oxirane
CID 146491565
1-(oxiran-2-ylmethoxy)-3-phenylmethoxypropan-2-ol
CID 162405278
oxirane;2-(oxiran-2-ylmethoxymethyl)oxirane;phenol
CID 87608532
(5S)-5-(phenylmethoxymethyl)oxolan-3-one
CID 168857190
(2R,4R)-4-bromo-2-(phenylmethoxymethyl)oxolane
CID 11086853
oxiran-2-ylmethanol;phenylmethoxymethylbenzene
CID 87861777
28-methoxy-12-(phenylmethoxymethyl)-2,5,8,11,14,17,20,23-octaoxabicyclo[22.3.1]octacosa-1(27),24(28),25-triene
CID 15721738
(2R,4R)-2-(2-bromoethyl)-4-(phenylmethoxymethyl)-1,3-dioxolane
CID 70623575

Frequently Asked Questions

What is the IUPAC name of oxolane;(2R)-2-(phenylmethoxymethyl)oxirane?
The IUPAC name of oxolane;(2R)-2-(phenylmethoxymethyl)oxirane (CID 175076963) is oxolane;(2R)-2-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for oxolane;(2R)-2-(phenylmethoxymethyl)oxirane?
The canonical SMILES for oxolane;(2R)-2-(phenylmethoxymethyl)oxirane is C1CCOC1.c1ccc(COC[C@H]2CO2)cc1.
What is the InChIKey of oxolane;(2R)-2-(phenylmethoxymethyl)oxirane?
The InChIKey is ZZECIBBVOPQMPA-PPHPATTJSA-N. The full InChI is InChI=1S/C10H12O2.C4H8O/c1-2-4-9(5-3-1)6-11-7-10-8-12-10;1-2-4-5-3-1/h1-5,10H,6-8H2;1-4H2/t10-;/m0./s1.
What are the key properties of oxolane;(2R)-2-(phenylmethoxymethyl)oxirane?
oxolane;(2R)-2-(phenylmethoxymethyl)oxirane has a molecular weight of 236.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;(2R)-2-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 175076963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).