2-methyl-2-(phenylmethoxymethyl)oxirane

C11H14O2 — CID 4613554

IUPAC2-methyl-2-(phenylmethoxymethyl)oxirane
SMILESCC1(COCc2ccccc2)CO1
InChIInChI=1S/C11H14O2/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyBPAMGLPHDPDNJE-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.99
Rot. Bonds4

About 2-methyl-2-(phenylmethoxymethyl)oxirane

2-methyl-2-(phenylmethoxymethyl)oxirane (PubChem CID 4613554) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-methyl-2-(phenylmethoxymethyl)oxirane.

Molecular Properties

Compound Name2-methyl-2-(phenylmethoxymethyl)oxirane
PubChem CID4613554
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-methyl-2-(phenylmethoxymethyl)oxirane
SMILESCC1(COCc2ccccc2)CO1
InChIInChI=1S/C11H14O2/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyBPAMGLPHDPDNJE-UHFFFAOYSA-N
XLogP1.99
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-3-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-one
CID 172801831
5-methyl-5-(phenylmethoxymethyl)-1,3-dioxane-2-thione
CID 101226498
(2R)-2-nonyl-2-(phenylmethoxymethyl)oxirane
CID 15293543
3-ethyl-3-(phenylmethoxymethyl)oxetane
CID 22066200
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
[(1R)-2,2-dibromo-1-methylcyclopropyl]methoxymethylbenzene
CID 164670270
(3S)-3-methyl-3-(phenylmethoxymethyl)oxolan-2-one
CID 176589467
5-methyl-3-(2-methylphenyl)-5-(phenylmethoxymethyl)-4H-1,2-oxazole
CID 89491876
5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
CID 18977333
(4S)-4-methyl-4-(phenylmethoxymethyl)oxolan-2-ol
CID 15450619
[(2S,3R)-3-methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol
CID 121000774
[(2S)-2-methyloxiran-2-yl]methyl phenylmethanesulfonate
CID 139625793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(phenylmethoxymethyl)oxirane?
The IUPAC name of 2-methyl-2-(phenylmethoxymethyl)oxirane (CID 4613554) is 2-methyl-2-(phenylmethoxymethyl)oxirane.
What is the SMILES notation for 2-methyl-2-(phenylmethoxymethyl)oxirane?
The canonical SMILES for 2-methyl-2-(phenylmethoxymethyl)oxirane is CC1(COCc2ccccc2)CO1.
What is the InChIKey of 2-methyl-2-(phenylmethoxymethyl)oxirane?
The InChIKey is BPAMGLPHDPDNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-11(9-13-11)8-12-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 2-methyl-2-(phenylmethoxymethyl)oxirane?
2-methyl-2-(phenylmethoxymethyl)oxirane has a molecular weight of 178.23 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(phenylmethoxymethyl)oxirane is sourced from PubChem (CID 4613554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).