2,6-diphenyloxane

C17H18O — CID 568901

IUPAC2,6-diphenyloxane
SMILESc1ccc(C2CCCC(c3ccccc3)O2)cc1
InChIInChI=1S/C17H18O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyQTKOFSQFXZIDNO-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.67
Rot. Bonds2

About 2,6-diphenyloxane

2,6-diphenyloxane (PubChem CID 568901) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2,6-diphenyloxane.

Molecular Properties

Compound Name2,6-diphenyloxane
PubChem CID568901
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name2,6-diphenyloxane
SMILESc1ccc(C2CCCC(c3ccccc3)O2)cc1
InChIInChI=1S/C17H18O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2
InChIKeyQTKOFSQFXZIDNO-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Diphenhydramine
CID 3100
Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Allyl benzyl ether
CID 84542
Benzene, (1-ethoxyethyl)-
CID 18693
Isoamyl benzyl ether
CID 31227
2-(Diphenylmethoxy)ethylamine
CID 36060

Frequently Asked Questions

What is the IUPAC name of 2,6-diphenyloxane?
The IUPAC name of 2,6-diphenyloxane (CID 568901) is 2,6-diphenyloxane.
What is the SMILES notation for 2,6-diphenyloxane?
The canonical SMILES for 2,6-diphenyloxane is c1ccc(C2CCCC(c3ccccc3)O2)cc1.
What is the InChIKey of 2,6-diphenyloxane?
The InChIKey is QTKOFSQFXZIDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-8-14(9-4-1)16-12-7-13-17(18-16)15-10-5-2-6-11-15/h1-6,8-11,16-17H,7,12-13H2.
What are the key properties of 2,6-diphenyloxane?
2,6-diphenyloxane has a molecular weight of 238.33 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diphenyloxane is sourced from PubChem (CID 568901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).