2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane

C14H18O2 — CID 161105349

IUPAC2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane
SMILESC=C1CCC(COc2cc(C)cc(C)c2)O1
InChIInChI=1S/C14H18O2/c1-10-6-11(2)8-14(7-10)15-9-13-5-4-12(3)16-13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyUIZBSAISFXVURQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.37
Rot. Bonds3

About 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane

2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane (PubChem CID 161105349) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane.

Molecular Properties

Compound Name2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane
PubChem CID161105349
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane
SMILESC=C1CCC(COc2cc(C)cc(C)c2)O1
InChIInChI=1S/C14H18O2/c1-10-6-11(2)8-14(7-10)15-9-13-5-4-12(3)16-13/h6-8,13H,3-5,9H2,1-2H3
InChIKeyUIZBSAISFXVURQ-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane 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

1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Benzene, 1-ethoxy-2-methoxy-4-(1-propen-1-yl)-
CID 285286
3-Ethoxytoluene
CID 69305
1-Ethoxy-2-methoxy-4-(1E)-1-propen-1-ylbenzene
CID 5382490
((m-Tolyloxy)methyl)oxirane
CID 98180
3,5-Dimethylanisole
CID 70126
Ethanol, 2-(3-methylphenoxy)-
CID 83611
1-Ethoxy-2-methoxy-4-(1-propenyl)benzene
CID 20831169
2-methoxy-1-(3-methylbut-2-enoxy)-4-[(E)-prop-1-enyl]benzene
CID 16091585
Benzene, 1,3-dimethyl-5-phenoxy-
CID 117541
3-(3-Methylphenoxy)-1,2-propanediol
CID 95628
Amyl isoeugenol
CID 6437735

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane?
The IUPAC name of 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane (CID 161105349) is 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane.
What is the SMILES notation for 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane?
The canonical SMILES for 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane is C=C1CCC(COc2cc(C)cc(C)c2)O1.
What is the InChIKey of 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane?
The InChIKey is UIZBSAISFXVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-10-6-11(2)8-14(7-10)15-9-13-5-4-12(3)16-13/h6-8,13H,3-5,9H2,1-2H3.
What are the key properties of 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane?
2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane has a molecular weight of 218.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenoxy)methyl]-5-methylideneoxolane is sourced from PubChem (CID 161105349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).