sodium;methanolate;phenylmethanol

C8H11NaO2 — CID 70637518

IUPACsodium;methanolate;phenylmethanol
SMILESC[O-].OCc1ccccc1.[Na+]
InChIInChI=1S/C7H8O.CH3O.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5,8H,6H2;1H3;/q;-1;+1
InChIKeyXBKAGJKJSUBFAC-UHFFFAOYSA-N
MW162.16 g/mol
LogP-2.84
Rot. Bonds1

About sodium;methanolate;phenylmethanol

sodium;methanolate;phenylmethanol (PubChem CID 70637518) has the molecular formula C8H11NaO2 and a molecular weight of 162.16 g/mol. Its IUPAC name is sodium;methanolate;phenylmethanol.

Molecular Properties

Compound Namesodium;methanolate;phenylmethanol
PubChem CID70637518
Molecular FormulaC8H11NaO2
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namesodium;methanolate;phenylmethanol
SMILESC[O-].OCc1ccccc1.[Na+]
InChIInChI=1S/C7H8O.CH3O.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5,8H,6H2;1H3;/q;-1;+1
InChIKeyXBKAGJKJSUBFAC-UHFFFAOYSA-N
XLogP-2.84
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-2.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637
methanol;phenylmethanol
CID 19822462
phenylmethanol;zirconium
CID 18688174
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
ethanol;phenylmethanol;zirconium
CID 150575485
azane;phenylmethanol;hydrochloride
CID 173141367
phenylmethanol;titanium;dihydrochloride
CID 88632851
ethane-1,2-diol;phenylmethanol
CID 69228462
phenylmethanol;phosphane;trihydrobromide
CID 174749424
molecular hydrogen;phenylmethanol
CID 158888584

Frequently Asked Questions

What is the IUPAC name of sodium;methanolate;phenylmethanol?
The IUPAC name of sodium;methanolate;phenylmethanol (CID 70637518) is sodium;methanolate;phenylmethanol.
What is the SMILES notation for sodium;methanolate;phenylmethanol?
The canonical SMILES for sodium;methanolate;phenylmethanol is C[O-].OCc1ccccc1.[Na+].
What is the InChIKey of sodium;methanolate;phenylmethanol?
The InChIKey is XBKAGJKJSUBFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.CH3O.Na/c8-6-7-4-2-1-3-5-7;1-2;/h1-5,8H,6H2;1H3;/q;-1;+1.
What are the key properties of sodium;methanolate;phenylmethanol?
sodium;methanolate;phenylmethanol has a molecular weight of 162.16 g/mol, XLogP of -2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanolate;phenylmethanol is sourced from PubChem (CID 70637518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).