disodium;(2-methylphenyl)-phosphonatomethanone

C8H7Na2O4P — CID 66884074

IUPACdisodium;(2-methylphenyl)-phosphonatomethanone
SMILESCc1ccccc1C(=O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H9O4P.2Na/c1-6-4-2-3-5-7(6)8(9)13(10,11)12;;/h2-5H,1H3,(H2,10,11,12);;/q;2*+1/p-2
InChIKeyLGUIPFNQEQXTOO-UHFFFAOYSA-L
MW244.09 g/mol
LogP-5.94
Rot. Bonds2

About disodium;(2-methylphenyl)-phosphonatomethanone

disodium;(2-methylphenyl)-phosphonatomethanone (PubChem CID 66884074) has the molecular formula C8H7Na2O4P and a molecular weight of 244.09 g/mol. Its IUPAC name is disodium;(2-methylphenyl)-phosphonatomethanone.

Molecular Properties

Compound Namedisodium;(2-methylphenyl)-phosphonatomethanone
PubChem CID66884074
Molecular FormulaC8H7Na2O4P
Molecular Weight244.09 g/mol
Exact Mass243.99
IUPAC Namedisodium;(2-methylphenyl)-phosphonatomethanone
SMILESCc1ccccc1C(=O)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/C8H9O4P.2Na/c1-6-4-2-3-5-7(6)8(9)13(10,11)12;;/h2-5H,1H3,(H2,10,11,12);;/q;2*+1/p-2
InChIKeyLGUIPFNQEQXTOO-UHFFFAOYSA-L
XLogP-5.94
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 5-5.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(2-methylbenzoyl)phosphoryl-(2-methylphenyl)methanone
CID 18353869
chromium(3+);formaldehyde;tris(2-methylbenzoate)
CID 19812099
phosphono 2-methylbenzoate
CID 66728080
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2,3-dimethylbenzoyl)oxy-(2-methylbenzoyl)phosphinic acid
CID 87155428
ethane;1-(2-methylphenyl)ethanone
CID 91374073
bis(2-methylbenzoic acid);hydrate
CID 69398343
iron;2-methylbenzoic acid
CID 174483135
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
tris(2-methylbenzoyl)sulfanium
CID 142714960
carbanide;1-(2-methylphenyl)ethanone;tris(yttrium)
CID 160605653
bis[(2-methylbenzoyl)peroxy]phosphoryl 2-methylbenzenecarboperoxoate
CID 87127144

Frequently Asked Questions

What is the IUPAC name of disodium;(2-methylphenyl)-phosphonatomethanone?
The IUPAC name of disodium;(2-methylphenyl)-phosphonatomethanone (CID 66884074) is disodium;(2-methylphenyl)-phosphonatomethanone.
What is the SMILES notation for disodium;(2-methylphenyl)-phosphonatomethanone?
The canonical SMILES for disodium;(2-methylphenyl)-phosphonatomethanone is Cc1ccccc1C(=O)P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;(2-methylphenyl)-phosphonatomethanone?
The InChIKey is LGUIPFNQEQXTOO-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H9O4P.2Na/c1-6-4-2-3-5-7(6)8(9)13(10,11)12;;/h2-5H,1H3,(H2,10,11,12);;/q;2*+1/p-2.
What are the key properties of disodium;(2-methylphenyl)-phosphonatomethanone?
disodium;(2-methylphenyl)-phosphonatomethanone has a molecular weight of 244.09 g/mol, XLogP of -5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;(2-methylphenyl)-phosphonatomethanone is sourced from PubChem (CID 66884074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).