sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate

C16H18NaO2P — CID 146418297

IUPACsodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
SMILESCc1cc(C)c(C(=O)c2ccccc2[O-])c(C)c1.P.[Na+]
InChIInChI=1S/C16H16O2.Na.H3P/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17;;/h4-9,17H,1-3H3;;1H3/q;+1;/p-1
InChIKeyHSLJIFJFLHPOED-UHFFFAOYSA-M
MW296.28 g/mol
LogP-0.02
Rot. Bonds2

About sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate

sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate (PubChem CID 146418297) has the molecular formula C16H18NaO2P and a molecular weight of 296.28 g/mol. Its IUPAC name is sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate.

Molecular Properties

Compound Namesodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
PubChem CID146418297
Molecular FormulaC16H18NaO2P
Molecular Weight296.28 g/mol
Exact Mass296.09
IUPAC Namesodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
SMILESCc1cc(C)c(C(=O)c2ccccc2[O-])c(C)c1.P.[Na+]
InChIInChI=1S/C16H16O2.Na.H3P/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17;;/h4-9,17H,1-3H3;;1H3/q;+1;/p-1
InChIKeyHSLJIFJFLHPOED-UHFFFAOYSA-M
XLogP-0.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-0.02
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

lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
CID 172735368
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
benzenesulfonyl 2-(2,4,6-trimethylbenzoyl)benzenesulfonate
CID 54016782
oxo-prop-2-enoxy-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 70022641
[4-(2-chlorobenzoyl)-3,5-dimethylphenyl]-(2-chlorophenyl)methanone
CID 25138990
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
[2-(1-hydroxycyclohexyl)phenyl]-[2-(2,4,6-trimethylbenzoyl)phenyl]methanone
CID 121433859
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573

Frequently Asked Questions

What is the IUPAC name of sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate?
The IUPAC name of sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate (CID 146418297) is sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate.
What is the SMILES notation for sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate?
The canonical SMILES for sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate is Cc1cc(C)c(C(=O)c2ccccc2[O-])c(C)c1.P.[Na+].
What is the InChIKey of sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate?
The InChIKey is HSLJIFJFLHPOED-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16O2.Na.H3P/c1-10-8-11(2)15(12(3)9-10)16(18)13-6-4-5-7-14(13)17;;/h4-9,17H,1-3H3;;1H3/q;+1;/p-1.
What are the key properties of sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate?
sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate has a molecular weight of 296.28 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate is sourced from PubChem (CID 146418297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).