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

C14H22O2 — CID 91527054

IUPACbutane;2-[(4-methylphenoxy)methyl]oxirane
SMILESCCCC.Cc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2.C4H10/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-4-2/h2-5,10H,6-7H2,1H3;3-4H2,1-2H3
InChIKeyUTCXROIADITZRS-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.58
Rot. Bonds4

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

butane;2-[(4-methylphenoxy)methyl]oxirane (PubChem CID 91527054) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is butane;2-[(4-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Namebutane;2-[(4-methylphenoxy)methyl]oxirane
PubChem CID91527054
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Namebutane;2-[(4-methylphenoxy)methyl]oxirane
SMILESCCCC.Cc1ccc(OCC2CO2)cc1
InChIInChI=1S/C10H12O2.C4H10/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-4-2/h2-5,10H,6-7H2,1H3;3-4H2,1-2H3
InChIKeyUTCXROIADITZRS-UHFFFAOYSA-N
XLogP3.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.58
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-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
(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
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[(4-decylphenoxy)methyl]oxirane
CID 57169854
2-[[4-[2,2-bis(4-butoxyphenyl)-1-[4-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 118013692
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;(2S)-2-(phenoxymethyl)oxirane
CID 164913694

Frequently Asked Questions

What is the IUPAC name of butane;2-[(4-methylphenoxy)methyl]oxirane?
The IUPAC name of butane;2-[(4-methylphenoxy)methyl]oxirane (CID 91527054) is butane;2-[(4-methylphenoxy)methyl]oxirane.
What is the SMILES notation for butane;2-[(4-methylphenoxy)methyl]oxirane?
The canonical SMILES for butane;2-[(4-methylphenoxy)methyl]oxirane is CCCC.Cc1ccc(OCC2CO2)cc1.
What is the InChIKey of butane;2-[(4-methylphenoxy)methyl]oxirane?
The InChIKey is UTCXROIADITZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C4H10/c1-8-2-4-9(5-3-8)11-6-10-7-12-10;1-3-4-2/h2-5,10H,6-7H2,1H3;3-4H2,1-2H3.
What are the key properties of butane;2-[(4-methylphenoxy)methyl]oxirane?
butane;2-[(4-methylphenoxy)methyl]oxirane has a molecular weight of 222.33 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-[(4-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 91527054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).