2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol

C13H18O4 — CID 174918196

IUPAC2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
SMILESCc1ccccc1OCC1CO1.OCC1CO1
InChIInChI=1S/C10H12O2.C3H6O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9;4-1-3-2-5-3/h2-5,9H,6-7H2,1H3;3-4H,1-2H2
InChIKeyBBUFEUTVXOFJRF-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.15
Rot. Bonds4

About 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol

2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol (PubChem CID 174918196) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
PubChem CID174918196
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
SMILESCc1ccccc1OCC1CO1.OCC1CO1
InChIInChI=1S/C10H12O2.C3H6O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9;4-1-3-2-5-3/h2-5,9H,6-7H2,1H3;3-4H,1-2H2
InChIKeyBBUFEUTVXOFJRF-UHFFFAOYSA-N
XLogP1.15
TPSA54.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
ethane;2-[(2-methylphenoxy)methyl]oxirane;bis(2-(naphthalen-1-yloxymethyl)oxirane);propane
CID 158467140
2-[2-(2-methylphenoxy)ethoxymethyl]oxirane
CID 13013247
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
ethane;methane;tris(2-[(2-methylphenoxy)methyl]oxirane);bis(tricyclo[5.2.1.02,6]decane)
CID 162242646
2-[(2-methylphenyl)peroxymethyl]oxirane
CID 23529975
3-[(2-methylphenoxy)methyl]oxetane
CID 116820110
ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-(2-methylprop-2-enoxy)phenoxy]methyl]oxirane
CID 13171806
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
2-[[2-[1-[2-(oxiran-2-ylmethoxy)phenyl]ethyl]phenoxy]methyl]oxirane
CID 22904212

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol?
The IUPAC name of 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol (CID 174918196) is 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol is Cc1ccccc1OCC1CO1.OCC1CO1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol?
The InChIKey is BBUFEUTVXOFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2.C3H6O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9;4-1-3-2-5-3/h2-5,9H,6-7H2,1H3;3-4H,1-2H2.
What are the key properties of 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol?
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol has a molecular weight of 238.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol is sourced from PubChem (CID 174918196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).