2-methyl-5-[(2-methylphenoxy)methyl]oxolane

C13H18O2 — CID 103141002

IUPAC2-methyl-5-[(2-methylphenoxy)methyl]oxolane
SMILESCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C13H18O2/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-6,11-12H,7-9H2,1-2H3
InChIKeyIMQXGXGVZBDAOY-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.94
Rot. Bonds3

About 2-methyl-5-[(2-methylphenoxy)methyl]oxolane

2-methyl-5-[(2-methylphenoxy)methyl]oxolane (PubChem CID 103141002) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-methyl-5-[(2-methylphenoxy)methyl]oxolane.

Molecular Properties

Compound Name2-methyl-5-[(2-methylphenoxy)methyl]oxolane
PubChem CID103141002
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-methyl-5-[(2-methylphenoxy)methyl]oxolane
SMILESCc1ccccc1OCC1CCC(C)O1
InChIInChI=1S/C13H18O2/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-6,11-12H,7-9H2,1-2H3
InChIKeyIMQXGXGVZBDAOY-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methylphenoxy)methyl]-5-methyloxolane
CID 103141088
2-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103134244
4-methyl-3-[(5-methyloxolan-2-yl)methoxy]aniline
CID 103132582
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 103132821
3-[(5-methyloxolan-2-yl)methoxy]pyridin-2-amine
CID 103132570
2-methyl-N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 103133101
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]propan-1-one
CID 103134352
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]ethanamine
CID 103132816
2-methyl-4-[(2-methylphenoxy)methyl]-1,3-dioxetane
CID 89175993
bis(2-[(2-methylphenoxy)methyl]oxirane);propane
CID 91036467
N-[[2-[(5-methyloxolan-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 103132818
1-[2-[(5-methyloxolan-2-yl)methoxy]phenyl]piperazine
CID 103137197

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2-methylphenoxy)methyl]oxolane?
The IUPAC name of 2-methyl-5-[(2-methylphenoxy)methyl]oxolane (CID 103141002) is 2-methyl-5-[(2-methylphenoxy)methyl]oxolane.
What is the SMILES notation for 2-methyl-5-[(2-methylphenoxy)methyl]oxolane?
The canonical SMILES for 2-methyl-5-[(2-methylphenoxy)methyl]oxolane is Cc1ccccc1OCC1CCC(C)O1.
What is the InChIKey of 2-methyl-5-[(2-methylphenoxy)methyl]oxolane?
The InChIKey is IMQXGXGVZBDAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-5-3-4-6-13(10)14-9-12-8-7-11(2)15-12/h3-6,11-12H,7-9H2,1-2H3.
What are the key properties of 2-methyl-5-[(2-methylphenoxy)methyl]oxolane?
2-methyl-5-[(2-methylphenoxy)methyl]oxolane has a molecular weight of 206.29 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2-methylphenoxy)methyl]oxolane is sourced from PubChem (CID 103141002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).