anisole;oxolane

C11H16O2 — CID 21469894

IUPACanisole;oxolane
SMILESC1CCOC1.COc1ccccc1
InChIInChI=1S/C7H8O.C4H8O/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1/h2-6H,1H3;1-4H2
InChIKeyWKQKNPFAPBADII-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.49
Rot. Bonds1

About anisole;oxolane

anisole;oxolane (PubChem CID 21469894) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is anisole;oxolane.

Molecular Properties

Compound Nameanisole;oxolane
PubChem CID21469894
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Nameanisole;oxolane
SMILESC1CCOC1.COc1ccccc1
InChIInChI=1S/C7H8O.C4H8O/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1/h2-6H,1H3;1-4H2
InChIKeyWKQKNPFAPBADII-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of anisole;oxolane?
The IUPAC name of anisole;oxolane (CID 21469894) is anisole;oxolane.
What is the SMILES notation for anisole;oxolane?
The canonical SMILES for anisole;oxolane is C1CCOC1.COc1ccccc1.
What is the InChIKey of anisole;oxolane?
The InChIKey is WKQKNPFAPBADII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C4H8O/c1-8-7-5-3-2-4-6-7;1-2-4-5-3-1/h2-6H,1H3;1-4H2.
What are the key properties of anisole;oxolane?
anisole;oxolane has a molecular weight of 180.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;oxolane is sourced from PubChem (CID 21469894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).