oxolane;phenoxybenzene

C16H18O2 — CID 22620896

IUPACoxolane;phenoxybenzene
SMILESC1CCOC1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H8O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2
InChIKeyUPZFGZWGGFFLRT-UHFFFAOYSA-N
MW242.32 g/mol
LogP4.28
Rot. Bonds2

About oxolane;phenoxybenzene

oxolane;phenoxybenzene (PubChem CID 22620896) has the molecular formula C16H18O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is oxolane;phenoxybenzene.

Molecular Properties

Compound Nameoxolane;phenoxybenzene
PubChem CID22620896
Molecular FormulaC16H18O2
Molecular Weight242.32 g/mol
Exact Mass242.13
IUPAC Nameoxolane;phenoxybenzene
SMILESC1CCOC1.c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C12H10O.C4H8O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2
InChIKeyUPZFGZWGGFFLRT-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxolane;phenoxybenzene?
The IUPAC name of oxolane;phenoxybenzene (CID 22620896) is oxolane;phenoxybenzene.
What is the SMILES notation for oxolane;phenoxybenzene?
The canonical SMILES for oxolane;phenoxybenzene is C1CCOC1.c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of oxolane;phenoxybenzene?
The InChIKey is UPZFGZWGGFFLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C4H8O/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1/h1-10H;1-4H2.
What are the key properties of oxolane;phenoxybenzene?
oxolane;phenoxybenzene has a molecular weight of 242.32 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;phenoxybenzene is sourced from PubChem (CID 22620896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).