2-(2,5-dimethylphenoxy)oxane

C13H18O2 — CID 15305690

IUPAC2-(2,5-dimethylphenoxy)oxane
SMILESCc1ccc(C)c(OC2CCCCO2)c1
InChIInChI=1S/C13H18O2/c1-10-6-7-11(2)12(9-10)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyVBYNHPQHYSWICY-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds2

About 2-(2,5-dimethylphenoxy)oxane

2-(2,5-dimethylphenoxy)oxane (PubChem CID 15305690) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)oxane.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)oxane
PubChem CID15305690
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(2,5-dimethylphenoxy)oxane
SMILESCc1ccc(C)c(OC2CCCCO2)c1
InChIInChI=1S/C13H18O2/c1-10-6-7-11(2)12(9-10)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyVBYNHPQHYSWICY-UHFFFAOYSA-N
XLogP3.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenoxy)oxane
CID 10987441
lithium;hydride;triethyl-[5-methyl-2-(oxan-2-yloxy)phenyl]silane
CID 175170398
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
1-[3-methyl-4-(oxan-2-yloxy)phenyl]ethanone
CID 58975274
2-(4-ethynyl-2-methylphenoxy)oxane
CID 22991499
trans-(1R,2R)-2-(2,5-dimethylphenoxy)cyclohexan-1-ol
CID 102732512
[4-borono-2,5-bis(oxan-2-yloxy)phenyl]boronic acid
CID 25242206
2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 71627927
(2S)-2-[(2,5-dimethylphenoxy)methyl]oxolane
CID 97170620
2-(2,5-dimethylphenoxy)cyclohexan-1-amine
CID 43184593
2-(2-methylphenoxy)oxetane
CID 23394730
1-[3,4-bis(oxan-2-yloxy)phenyl]ethanone
CID 121005777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)oxane?
The IUPAC name of 2-(2,5-dimethylphenoxy)oxane (CID 15305690) is 2-(2,5-dimethylphenoxy)oxane.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)oxane?
The canonical SMILES for 2-(2,5-dimethylphenoxy)oxane is Cc1ccc(C)c(OC2CCCCO2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)oxane?
The InChIKey is VBYNHPQHYSWICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-6-7-11(2)12(9-10)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenoxy)oxane?
2-(2,5-dimethylphenoxy)oxane has a molecular weight of 206.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)oxane is sourced from PubChem (CID 15305690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).