sodium 4-methylphenolate

C7H7NaO — CID 23673456

IUPACsodium 4-methylphenolate
SMILESCc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C7H8O.Na/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyZECBPBHBGNLLMU-UHFFFAOYSA-M
MW130.12 g/mol
LogP-1.93
Rot. Bonds

About sodium 4-methylphenolate

sodium 4-methylphenolate (PubChem CID 23673456) has the molecular formula C7H7NaO and a molecular weight of 130.12 g/mol. Its IUPAC name is sodium 4-methylphenolate.

Molecular Properties

Compound Namesodium 4-methylphenolate
PubChem CID23673456
Molecular FormulaC7H7NaO
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Namesodium 4-methylphenolate
SMILESCc1ccc([O-])cc1.[Na+]
InChIInChI=1S/C7H8O.Na/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1
InChIKeyZECBPBHBGNLLMU-UHFFFAOYSA-M
XLogP-1.93
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 5-1.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium 4-methylphenolate?
The IUPAC name of sodium 4-methylphenolate (CID 23673456) is sodium 4-methylphenolate.
What is the SMILES notation for sodium 4-methylphenolate?
The canonical SMILES for sodium 4-methylphenolate is Cc1ccc([O-])cc1.[Na+].
What is the InChIKey of sodium 4-methylphenolate?
The InChIKey is ZECBPBHBGNLLMU-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O.Na/c1-6-2-4-7(8)5-3-6;/h2-5,8H,1H3;/q;+1/p-1.
What are the key properties of sodium 4-methylphenolate?
sodium 4-methylphenolate has a molecular weight of 130.12 g/mol, XLogP of -1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-methylphenolate is sourced from PubChem (CID 23673456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).