2-[(2-methylphenoxy)methyl]oxirane

C10H12O2 — CID 16640

IUPAC2-[(2-methylphenoxy)methyl]oxirane
SMILESCc1ccccc1OCC1CO1
InChIInChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3
InChIKeyKFUSXMDYOPXKKT-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.77
Rot. Bonds3

About 2-[(2-methylphenoxy)methyl]oxirane

2-[(2-methylphenoxy)methyl]oxirane (PubChem CID 16640) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-[(2-methylphenoxy)methyl]oxirane.

Molecular Properties

Compound Name2-[(2-methylphenoxy)methyl]oxirane
PubChem CID16640
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-[(2-methylphenoxy)methyl]oxirane
SMILESCc1ccccc1OCC1CO1
InChIInChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3
InChIKeyKFUSXMDYOPXKKT-UHFFFAOYSA-N
XLogP1.77
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.77
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

Mephenesin
CID 4059
Phenyl glycidyl ether
CID 31217
Cresyl glycidyl ether
CID 16606
p-tert-Butylphenyl glycidyl ether
CID 18360
2-Methylanisole
CID 33637
Bisphenol F diglycidyl ether
CID 91511
Dihydrobenzofuran
CID 10329
2-((1-Naphthalenyloxy)methyl)oxirane
CID 91521
o-Cresyl acetate
CID 10778
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
2-(2-Methylphenoxy)acetic acid
CID 74651
2-Vinylanisole
CID 61153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenoxy)methyl]oxirane?
The IUPAC name of 2-[(2-methylphenoxy)methyl]oxirane (CID 16640) is 2-[(2-methylphenoxy)methyl]oxirane.
What is the SMILES notation for 2-[(2-methylphenoxy)methyl]oxirane?
The canonical SMILES for 2-[(2-methylphenoxy)methyl]oxirane is Cc1ccccc1OCC1CO1.
What is the InChIKey of 2-[(2-methylphenoxy)methyl]oxirane?
The InChIKey is KFUSXMDYOPXKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-8-4-2-3-5-10(8)12-7-9-6-11-9/h2-5,9H,6-7H2,1H3.
What are the key properties of 2-[(2-methylphenoxy)methyl]oxirane?
2-[(2-methylphenoxy)methyl]oxirane has a molecular weight of 164.20 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenoxy)methyl]oxirane is sourced from PubChem (CID 16640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).