methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

C13H18O2 — CID 174690186

IUPACmethane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESC.c1ccc(CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C12H14O2.CH4/c1-2-4-10(6-12-8-14-12)9(3-1)5-11-7-13-11;/h1-4,11-12H,5-8H2;1H4
InChIKeyHRAPAPKTJGOUFW-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.21
Rot. Bonds4

About methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane

methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (PubChem CID 174690186) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.

Molecular Properties

Compound Namemethane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
PubChem CID174690186
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Namemethane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
SMILESC.c1ccc(CC2CO2)c(CC2CO2)c1
InChIInChI=1S/C12H14O2.CH4/c1-2-4-10(6-12-8-14-12)9(3-1)5-11-7-13-11;/h1-4,11-12H,5-8H2;1H4
InChIKeyHRAPAPKTJGOUFW-UHFFFAOYSA-N
XLogP2.21
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.21
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

2-[[2-(ethoxymethyl)phenyl]methyl]oxirane
CID 151772121
methane;3-(oxiran-2-ylmethyl)benzene-1,2-diamine
CID 174429069
2-[[(2R)-oxiran-2-yl]methyl]benzonitrile
CID 15016400
2-[[2-(dibromomethyl)phenyl]methyl]oxirane
CID 71442206
[2-(oxiran-2-ylmethyl)phenyl] acetate
CID 14713764
[2-(oxiran-2-ylmethyl)phenyl]phosphonic acid
CID 174396198
2,3-bis(oxiran-2-ylmethyl)phenol
CID 19029836
azane;2-[[2-[[2,3-bis(oxiran-2-ylmethyl)phenyl]methyl]-6-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 87240097
2-[[3-(oxiran-2-ylmethyl)-2-[(E)-prop-1-enyl]phenyl]methyl]oxirane
CID 91802357
3,4,5-tris(oxiran-2-ylmethyl)-6-[2-(oxiran-2-ylmethyl)phenyl]benzene-1,2-diamine
CID 87248140
N-[[2-[[bis(oxiran-2-ylmethyl)amino]methyl]phenyl]methyl]-1-(oxiran-2-yl)-N-(oxiran-2-ylmethyl)methanamine
CID 18620359
2-[(3-ethenyl-2-methylphenyl)methyl]oxirane
CID 22665284

Frequently Asked Questions

What is the IUPAC name of methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The IUPAC name of methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane (CID 174690186) is methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane.
What is the SMILES notation for methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The canonical SMILES for methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is C.c1ccc(CC2CO2)c(CC2CO2)c1.
What is the InChIKey of methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
The InChIKey is HRAPAPKTJGOUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2.CH4/c1-2-4-10(6-12-8-14-12)9(3-1)5-11-7-13-11;/h1-4,11-12H,5-8H2;1H4.
What are the key properties of methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane?
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane has a molecular weight of 206.29 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane is sourced from PubChem (CID 174690186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).