sodium;phenylmethanol;hydroxide

C7H9NaO2 — CID 67303637

IUPACsodium;phenylmethanol;hydroxide
SMILESOCc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H8O.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;;1H2/q;+1;/p-1
InChIKeyCAKFJMXZPVHFCI-UHFFFAOYSA-M
MW148.14 g/mol
LogP-1.99
Rot. Bonds1

About sodium;phenylmethanol;hydroxide

sodium;phenylmethanol;hydroxide (PubChem CID 67303637) has the molecular formula C7H9NaO2 and a molecular weight of 148.14 g/mol. Its IUPAC name is sodium;phenylmethanol;hydroxide.

Molecular Properties

Compound Namesodium;phenylmethanol;hydroxide
PubChem CID67303637
Molecular FormulaC7H9NaO2
Molecular Weight148.14 g/mol
Exact Mass148.05
IUPAC Namesodium;phenylmethanol;hydroxide
SMILESOCc1ccccc1.[Na+].[OH-]
InChIInChI=1S/C7H8O.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;;1H2/q;+1;/p-1
InChIKeyCAKFJMXZPVHFCI-UHFFFAOYSA-M
XLogP-1.99
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze sodium;phenylmethanol;hydroxide 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

disodium;hydride;phenylmethanol
CID 174792747
azanium;phenylmethanol;hydroxide
CID 70634097
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
sodium;methanolate;phenylmethanol
CID 70637518
phenylmethanol;phosphane;trihydrobromide
CID 174749424
ethane-1,2-diol;phenylmethanol
CID 69228462
methanol;phenylmethanol
CID 19822462
phenylmethanol;titanium;dihydrochloride
CID 88632851
azane;phenylmethanol;hydrochloride
CID 173141367
molecular hydrogen;phenylmethanol
CID 158888584

Frequently Asked Questions

What is the IUPAC name of sodium;phenylmethanol;hydroxide?
The IUPAC name of sodium;phenylmethanol;hydroxide (CID 67303637) is sodium;phenylmethanol;hydroxide.
What is the SMILES notation for sodium;phenylmethanol;hydroxide?
The canonical SMILES for sodium;phenylmethanol;hydroxide is OCc1ccccc1.[Na+].[OH-].
What is the InChIKey of sodium;phenylmethanol;hydroxide?
The InChIKey is CAKFJMXZPVHFCI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8O.Na.H2O/c8-6-7-4-2-1-3-5-7;;/h1-5,8H,6H2;;1H2/q;+1;/p-1.
What are the key properties of sodium;phenylmethanol;hydroxide?
sodium;phenylmethanol;hydroxide has a molecular weight of 148.14 g/mol, XLogP of -1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;phenylmethanol;hydroxide is sourced from PubChem (CID 67303637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).