2-[(4-methylphenoxy)methyl]oxirane;propane

C13H20O2 — CID 90972730

IUPAC2-[(4-methylphenoxy)methyl]oxirane;propane
SMILESCCC.Cc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2.C3H8/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-2/h2-5,10H,6-7H2,1H3;3H2,1-2H3
InChIKeyCCBNNJXLNZQLRS-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.19
Rot. Bonds3

About 2-[(4-methylphenoxy)methyl]oxirane;propane

2-[(4-methylphenoxy)methyl]oxirane;propane (PubChem CID 90972730) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]oxirane;propane.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]oxirane;propane
PubChem CID90972730
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-[(4-methylphenoxy)methyl]oxirane;propane
SMILESCCC.Cc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2.C3H8/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-2/h2-5,10H,6-7H2,1H3;3H2,1-2H3
InChIKeyCCBNNJXLNZQLRS-UHFFFAOYSA-N
XLogP3.19
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methylphenoxy)methyl]oxirane;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyridine
CID 59790923
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
5-methyl-2-[4-(oxiran-2-ylmethoxy)phenyl]pyrimidine
CID 59790994
ethane;2-[(4-ethylphenoxy)methyl]oxirane
CID 156746927
1,1'-biphenyl;2-(phenoxymethyl)oxirane;propane
CID 90797707
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]oxirane;propane?
The IUPAC name of 2-[(4-methylphenoxy)methyl]oxirane;propane (CID 90972730) is 2-[(4-methylphenoxy)methyl]oxirane;propane.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]oxirane;propane?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]oxirane;propane is CCC.Cc1ccc(OCC2CO2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]oxirane;propane?
The InChIKey is CCBNNJXLNZQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H8/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-2/h2-5,10H,6-7H2,1H3;3H2,1-2H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]oxirane;propane?
2-[(4-methylphenoxy)methyl]oxirane;propane has a molecular weight of 208.30 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]oxirane;propane is sourced from PubChem (CID 90972730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).