2-(3,4-dimethylphenoxy)oxane

C13H18O2 — CID 10987441

IUPAC2-(3,4-dimethylphenoxy)oxane
SMILESCc1ccc(OC2CCCCO2)cc1C
InChIInChI=1S/C13H18O2/c1-10-6-7-12(9-11(10)2)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyLWAUMDXZTNIXJT-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.21
Rot. Bonds2

About 2-(3,4-dimethylphenoxy)oxane

2-(3,4-dimethylphenoxy)oxane (PubChem CID 10987441) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)oxane.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)oxane
PubChem CID10987441
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-(3,4-dimethylphenoxy)oxane
SMILESCc1ccc(OC2CCCCO2)cc1C
InChIInChI=1S/C13H18O2/c1-10-6-7-12(9-11(10)2)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyLWAUMDXZTNIXJT-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-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
2-(2,5-dimethylphenoxy)oxane
CID 15305690
2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
CID 166783804
trimethyl-[4-(oxan-2-yloxy)phenyl]stannane
CID 11537422
3,8-bis[[(2R)-oxan-2-yl]oxy]benzo[c]cinnoline
CID 124863691
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-(3-bromophenoxy)oxane
CID 5067264
9-methyl-2,7-bis(oxan-2-yloxy)fluoren-9-ol
CID 154680130
5-(oxan-2-yloxy)-1-benzofuran
CID 67340749
6-[(2R)-oxan-2-yl]oxy-3,4-dihydro-2H-naphthalen-1-one
CID 129395002

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)oxane?
The IUPAC name of 2-(3,4-dimethylphenoxy)oxane (CID 10987441) is 2-(3,4-dimethylphenoxy)oxane.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)oxane?
The canonical SMILES for 2-(3,4-dimethylphenoxy)oxane is Cc1ccc(OC2CCCCO2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)oxane?
The InChIKey is LWAUMDXZTNIXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10-6-7-12(9-11(10)2)15-13-5-3-4-8-14-13/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 2-(3,4-dimethylphenoxy)oxane?
2-(3,4-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-(3,4-dimethylphenoxy)oxane is sourced from PubChem (CID 10987441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).