[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane

C22H23BiO — CID 150924917

IUPAC[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane
SMILESCC(C)(C)Oc1cccc([Bi](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C10H13O.2C6H5.Bi/c1-10(2,3)11-9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;/h4-5,7-8H,1-3H3;2*1-5H;
InChIKeyLEVAXLIBELANQF-UHFFFAOYSA-N
MW512.41 g/mol
LogP3.38
Rot. Bonds4

About [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane

[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane (PubChem CID 150924917) has the molecular formula C22H23BiO and a molecular weight of 512.41 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane
PubChem CID150924917
Molecular FormulaC22H23BiO
Molecular Weight512.41 g/mol
Exact Mass512.16
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane
SMILESCC(C)(C)Oc1cccc([Bi](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C10H13O.2C6H5.Bi/c1-10(2,3)11-9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;/h4-5,7-8H,1-3H3;2*1-5H;
InChIKeyLEVAXLIBELANQF-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium
CID 67297727
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
(2-methylpropan-2-yl)oxybenzene;propane
CID 169265117
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
1-chloro-3-[(2-methylpropan-2-yl)oxy]benzene
CID 11298360
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
N-ethyl-2-methylpropan-2-amine;(2-methylpropan-2-yl)oxybenzene
CID 159885987
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane (CID 150924917) is [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane is CC(C)(C)Oc1cccc([Bi](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane?
The InChIKey is LEVAXLIBELANQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.2C6H5.Bi/c1-10(2,3)11-9-7-5-4-6-8-9;2*1-2-4-6-5-3-1;/h4-5,7-8H,1-3H3;2*1-5H;.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane?
[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane has a molecular weight of 512.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane is sourced from PubChem (CID 150924917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).