disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)

C18H18Na2O10P2+2 — CID 175790724

IUPACdisodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)
SMILESCOC(=O)c1ccc(O[P+](=O)[O-])cc1C.COC(=O)c1ccc(O[P+](=O)[O-])cc1C.[Na+].[Na+]
InChIInChI=1S/2C9H9O5P.2Na/c2*1-6-5-7(14-15(11)12)3-4-8(6)9(10)13-2;;/h2*3-5H,1-2H3;;/q;;2*+1
InChIKeyLEMPZPSSFVNNEU-UHFFFAOYSA-N
MW502.26 g/mol
LogP-3.64
Rot. Bonds6

About disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)

disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) (PubChem CID 175790724) has the molecular formula C18H18Na2O10P2+2 and a molecular weight of 502.26 g/mol. Its IUPAC name is disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium).

Molecular Properties

Compound Namedisodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)
PubChem CID175790724
Molecular FormulaC18H18Na2O10P2+2
Molecular Weight502.26 g/mol
Exact Mass502.02
IUPAC Namedisodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)
SMILESCOC(=O)c1ccc(O[P+](=O)[O-])cc1C.COC(=O)c1ccc(O[P+](=O)[O-])cc1C.[Na+].[Na+]
InChIInChI=1S/2C9H9O5P.2Na/c2*1-6-5-7(14-15(11)12)3-4-8(6)9(10)13-2;;/h2*3-5H,1-2H3;;/q;;2*+1
InChIKeyLEMPZPSSFVNNEU-UHFFFAOYSA-N
XLogP-3.64
TPSA151.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.26
LogP ≤ 5-3.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-(4-tert-butylphenoxy)-2-methylbenzoate
CID 135375152
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
methyl 4-carbonochloridoyl-2-methylbenzoate
CID 141487555
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 4-chlorosulfonyl-2-methylbenzoate
CID 54594899
methyl 2-methyl-4-phenylmethoxybenzoate;2-methyl-4-phenylmethoxybenzoic acid
CID 159295589
methyl 4-ethynyl-2-methylbenzoate
CID 22125950
methyl 4-(hydrazinecarbonyl)-2-methylbenzoate
CID 162059999
(4-methoxycarbonylphenyl) 2,4-dimethylbenzoate
CID 8961318
methyl 2-amino-5-(3,4-dimethylphenoxy)benzoate
CID 63423501
methyl 4-(2-methoxy-2-oxoethyl)-2-methylbenzoate
CID 171792318
methyl 4-[(1R)-1-aminoethyl]-2-methylbenzoate
CID 124539705

Frequently Asked Questions

What is the IUPAC name of disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)?
The IUPAC name of disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) (CID 175790724) is disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium).
What is the SMILES notation for disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)?
The canonical SMILES for disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) is COC(=O)c1ccc(O[P+](=O)[O-])cc1C.COC(=O)c1ccc(O[P+](=O)[O-])cc1C.[Na+].[Na+].
What is the InChIKey of disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)?
The InChIKey is LEMPZPSSFVNNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H9O5P.2Na/c2*1-6-5-7(14-15(11)12)3-4-8(6)9(10)13-2;;/h2*3-5H,1-2H3;;/q;;2*+1.
What are the key properties of disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium)?
disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) has a molecular weight of 502.26 g/mol, XLogP of -3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for disodium bis((4-methoxycarbonyl-3-methylphenoxy)-oxido-oxophosphanium) is sourced from PubChem (CID 175790724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).