1,1'-biphenyl;1,4-dioxine;hydrochloride

C16H15ClO2 — CID 160874160

IUPAC1,1'-biphenyl;1,4-dioxine;hydrochloride
SMILESC1=COC=CO1.Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H4O2.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;/h1-10H;1-4H;1H
InChIKeyMFXAZQJAZIEETQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP4.75
Rot. Bonds1

About 1,1'-biphenyl;1,4-dioxine;hydrochloride

1,1'-biphenyl;1,4-dioxine;hydrochloride (PubChem CID 160874160) has the molecular formula C16H15ClO2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1,1'-biphenyl;1,4-dioxine;hydrochloride.

Molecular Properties

Compound Name1,1'-biphenyl;1,4-dioxine;hydrochloride
PubChem CID160874160
Molecular FormulaC16H15ClO2
Molecular Weight274.75 g/mol
Exact Mass274.08
IUPAC Name1,1'-biphenyl;1,4-dioxine;hydrochloride
SMILESC1=COC=CO1.Cl.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H4O2.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;/h1-10H;1-4H;1H
InChIKeyMFXAZQJAZIEETQ-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162140615
CID 162140615
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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,4-dioxine;hydrochloride?
The IUPAC name of 1,1'-biphenyl;1,4-dioxine;hydrochloride (CID 160874160) is 1,1'-biphenyl;1,4-dioxine;hydrochloride.
What is the SMILES notation for 1,1'-biphenyl;1,4-dioxine;hydrochloride?
The canonical SMILES for 1,1'-biphenyl;1,4-dioxine;hydrochloride is C1=COC=CO1.Cl.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1,4-dioxine;hydrochloride?
The InChIKey is MFXAZQJAZIEETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H4O2.ClH/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-4-3-5-1;/h1-10H;1-4H;1H.
What are the key properties of 1,1'-biphenyl;1,4-dioxine;hydrochloride?
1,1'-biphenyl;1,4-dioxine;hydrochloride has a molecular weight of 274.75 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1,4-dioxine;hydrochloride is sourced from PubChem (CID 160874160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).