1,4-diphenoxybenzene

C18H14O2 — CID 520487

IUPAC1,4-diphenoxybenzene
SMILESc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
InChIKeyUVGPELGZPWDPFP-UHFFFAOYSA-N
MW262.31 g/mol
LogP5.27
Rot. Bonds4

About 1,4-diphenoxybenzene

1,4-diphenoxybenzene (PubChem CID 520487) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,4-diphenoxybenzene.

Molecular Properties

Compound Name1,4-diphenoxybenzene
PubChem CID520487
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1,4-diphenoxybenzene
SMILESc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H
InChIKeyUVGPELGZPWDPFP-UHFFFAOYSA-N
XLogP5.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.31
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-diphenoxybenzene?
The IUPAC name of 1,4-diphenoxybenzene (CID 520487) is 1,4-diphenoxybenzene.
What is the SMILES notation for 1,4-diphenoxybenzene?
The canonical SMILES for 1,4-diphenoxybenzene is c1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 1,4-diphenoxybenzene?
The InChIKey is UVGPELGZPWDPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-3-7-15(8-4-1)19-17-11-13-18(14-12-17)20-16-9-5-2-6-10-16/h1-14H.
What are the key properties of 1,4-diphenoxybenzene?
1,4-diphenoxybenzene has a molecular weight of 262.31 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenoxybenzene is sourced from PubChem (CID 520487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).