[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium

C16H18O2P+ — CID 67297727

IUPAC[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium
SMILESCC(C)(C)Oc1cccc([P+](=O)c2ccccc2)c1
InChIInChI=1S/C16H18O2P/c1-16(2,3)18-13-8-7-11-15(12-13)19(17)14-9-5-4-6-10-14/h4-12H,1-3H3/q+1
InChIKeySRVFDCXLNODLMF-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.64
Rot. Bonds3

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

[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium (PubChem CID 67297727) has the molecular formula C16H18O2P+ and a molecular weight of 273.29 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium
PubChem CID67297727
Molecular FormulaC16H18O2P+
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium
SMILESCC(C)(C)Oc1cccc([P+](=O)c2ccccc2)c1
InChIInChI=1S/C16H18O2P/c1-16(2,3)18-13-8-7-11-15(12-13)19(17)14-9-5-4-6-10-14/h4-12H,1-3H3/q+1
InChIKeySRVFDCXLNODLMF-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[3-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylbismuthane
CID 150924917
oxo-bis(3-propan-2-yloxyphenyl)phosphanium
CID 67298110
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 159885563
ethane;methane;(2-methylpropan-2-yl)oxybenzene
CID 161423888
methanol;oxo(diphenyl)phosphanium
CID 174996285
cadmium;oxo(diphenyl)phosphanium
CID 174925548
(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
oxo-bis(3-phenylphenyl)phosphanium
CID 71115203
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
[3-[(2-methylpropan-2-yl)oxy]phenyl]carbamic acid
CID 67275396

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium (CID 67297727) is [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium is CC(C)(C)Oc1cccc([P+](=O)c2ccccc2)c1.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium?
The InChIKey is SRVFDCXLNODLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2P/c1-16(2,3)18-13-8-7-11-15(12-13)19(17)14-9-5-4-6-10-14/h4-12H,1-3H3/q+1.
What are the key properties of [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium?
[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium has a molecular weight of 273.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium is sourced from PubChem (CID 67297727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).