4-methoxy-4-phenyloxane

C12H16O2 — CID 21049814

IUPAC4-methoxy-4-phenyloxane
SMILESCOC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O2/c1-13-12(7-9-14-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyGLABGBLXQSJODC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.34
Rot. Bonds2

About 4-methoxy-4-phenyloxane

4-methoxy-4-phenyloxane (PubChem CID 21049814) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 4-methoxy-4-phenyloxane.

Molecular Properties

Compound Name4-methoxy-4-phenyloxane
PubChem CID21049814
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name4-methoxy-4-phenyloxane
SMILESCOC1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H16O2/c1-13-12(7-9-14-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3
InChIKeyGLABGBLXQSJODC-UHFFFAOYSA-N
XLogP2.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-phenyloxane?
The IUPAC name of 4-methoxy-4-phenyloxane (CID 21049814) is 4-methoxy-4-phenyloxane.
What is the SMILES notation for 4-methoxy-4-phenyloxane?
The canonical SMILES for 4-methoxy-4-phenyloxane is COC1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-methoxy-4-phenyloxane?
The InChIKey is GLABGBLXQSJODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-13-12(7-9-14-10-8-12)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3.
What are the key properties of 4-methoxy-4-phenyloxane?
4-methoxy-4-phenyloxane has a molecular weight of 192.26 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-phenyloxane is sourced from PubChem (CID 21049814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).