trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium

C18H22O2P+ — CID 121316835

IUPACtrimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium
SMILESC[P+](C)(C)c1ccccc1OCCC(=O)c1ccccc1
InChIInChI=1S/C18H22O2P/c1-21(2,3)18-12-8-7-11-17(18)20-14-13-16(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/q+1
InChIKeyKTPJWCIORQDUSS-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.87
Rot. Bonds6

About trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium

trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium (PubChem CID 121316835) has the molecular formula C18H22O2P+ and a molecular weight of 301.35 g/mol. Its IUPAC name is trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium
PubChem CID121316835
Molecular FormulaC18H22O2P+
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nametrimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium
SMILESC[P+](C)(C)c1ccccc1OCCC(=O)c1ccccc1
InChIInChI=1S/C18H22O2P/c1-21(2,3)18-12-8-7-11-17(18)20-14-13-16(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/q+1
InChIKeyKTPJWCIORQDUSS-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.87
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-(3-methylbutan-2-yloxy)-1-phenylpropan-1-one
CID 116692176
3-methoxy-1-phenylpropan-1-one
CID 10942788
1-(4-fluorophenyl)-3-(2-methoxyphenoxy)propan-1-one
CID 43793632
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
1-phenyl-3-(4-propanoylphenoxy)propan-1-one
CID 116692107
4-(2-bromophenoxy)-1-phenylbutan-1-one
CID 60644532
4-(2-aminophenoxy)-1-phenylbutan-1-one;hydrochloride
CID 71412332
1-phenyl-3-(1,1,1-trifluoropropan-2-yloxy)propan-1-one
CID 116692171
N-[2-(4-oxo-4-phenylbutoxy)phenyl]acetamide
CID 13128525
3-(2-methyl-5-nitrophenoxy)-1-phenylpropan-1-one
CID 116692074
1-phenyl-2-(2-propan-2-ylphenoxy)ethanone
CID 43413868
(3R)-3-hydroxy-1-phenylbutan-1-one
CID 5324981

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium?
The IUPAC name of trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium (CID 121316835) is trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium.
What is the SMILES notation for trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium?
The canonical SMILES for trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium is C[P+](C)(C)c1ccccc1OCCC(=O)c1ccccc1.
What is the InChIKey of trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium?
The InChIKey is KTPJWCIORQDUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2P/c1-21(2,3)18-12-8-7-11-17(18)20-14-13-16(19)15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3/q+1.
What are the key properties of trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium?
trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium has a molecular weight of 301.35 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(3-oxo-3-phenylpropoxy)phenyl]phosphanium is sourced from PubChem (CID 121316835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).