trisodium;2-methylphenolate;4-methylphenolate

C14H14Na3O2+ — CID 159956775

IUPACtrisodium;2-methylphenolate;4-methylphenolate
SMILESCc1ccc([O-])cc1.Cc1ccccc1[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2C7H8O.3Na/c1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;;;/h2*2-5,8H,1H3;;;/q;;3*+1/p-2
InChIKeyMJSKEKNFSNPDOZ-UHFFFAOYSA-L
MW283.23 g/mol
LogP-6.85
Rot. Bonds

About trisodium;2-methylphenolate;4-methylphenolate

trisodium;2-methylphenolate;4-methylphenolate (PubChem CID 159956775) has the molecular formula C14H14Na3O2+ and a molecular weight of 283.23 g/mol. Its IUPAC name is trisodium;2-methylphenolate;4-methylphenolate.

Molecular Properties

Compound Nametrisodium;2-methylphenolate;4-methylphenolate
PubChem CID159956775
Molecular FormulaC14H14Na3O2+
Molecular Weight283.23 g/mol
Exact Mass283.07
IUPAC Nametrisodium;2-methylphenolate;4-methylphenolate
SMILESCc1ccc([O-])cc1.Cc1ccccc1[O-].[Na+].[Na+].[Na+]
InChIInChI=1S/2C7H8O.3Na/c1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;;;/h2*2-5,8H,1H3;;;/q;;3*+1/p-2
InChIKeyMJSKEKNFSNPDOZ-UHFFFAOYSA-L
XLogP-6.85
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.23
LogP ≤ 5-6.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trisodium;2-methylphenolate;4-methylphenolate?
The IUPAC name of trisodium;2-methylphenolate;4-methylphenolate (CID 159956775) is trisodium;2-methylphenolate;4-methylphenolate.
What is the SMILES notation for trisodium;2-methylphenolate;4-methylphenolate?
The canonical SMILES for trisodium;2-methylphenolate;4-methylphenolate is Cc1ccc([O-])cc1.Cc1ccccc1[O-].[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;2-methylphenolate;4-methylphenolate?
The InChIKey is MJSKEKNFSNPDOZ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H8O.3Na/c1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;;;/h2*2-5,8H,1H3;;;/q;;3*+1/p-2.
What are the key properties of trisodium;2-methylphenolate;4-methylphenolate?
trisodium;2-methylphenolate;4-methylphenolate has a molecular weight of 283.23 g/mol, XLogP of -6.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;2-methylphenolate;4-methylphenolate is sourced from PubChem (CID 159956775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).