sodium 3-methylphenol

C7H8NaO+ — CID 21278687

IUPACsodium 3-methylphenol
SMILESCc1cccc(O)c1.[Na+]
InChIInChI=1S/C7H8O.Na/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1
InChIKeyQOINKMNRLBCJOP-UHFFFAOYSA-N
MW131.13 g/mol
LogP-1.30
Rot. Bonds

About sodium 3-methylphenol

sodium 3-methylphenol (PubChem CID 21278687) has the molecular formula C7H8NaO+ and a molecular weight of 131.13 g/mol. Its IUPAC name is sodium 3-methylphenol.

Molecular Properties

Compound Namesodium 3-methylphenol
PubChem CID21278687
Molecular FormulaC7H8NaO+
Molecular Weight131.13 g/mol
Exact Mass131.05
IUPAC Namesodium 3-methylphenol
SMILESCc1cccc(O)c1.[Na+]
InChIInChI=1S/C7H8O.Na/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1
InChIKeyQOINKMNRLBCJOP-UHFFFAOYSA-N
XLogP-1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze sodium 3-methylphenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium 3-methylphenol?
The IUPAC name of sodium 3-methylphenol (CID 21278687) is sodium 3-methylphenol.
What is the SMILES notation for sodium 3-methylphenol?
The canonical SMILES for sodium 3-methylphenol is Cc1cccc(O)c1.[Na+].
What is the InChIKey of sodium 3-methylphenol?
The InChIKey is QOINKMNRLBCJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Na/c1-6-3-2-4-7(8)5-6;/h2-5,8H,1H3;/q;+1.
What are the key properties of sodium 3-methylphenol?
sodium 3-methylphenol has a molecular weight of 131.13 g/mol, XLogP of -1.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 3-methylphenol is sourced from PubChem (CID 21278687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).