sodium;4-ethylphenol;hydroxide

C8H11NaO2 — CID 160913882

IUPACsodium;4-ethylphenol;hydroxide
SMILESCCc1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C8H10O.Na.H2O/c1-2-7-3-5-8(9)6-4-7;;/h3-6,9H,2H2,1H3;;1H2/q;+1;/p-1
InChIKeySRDLGSQZWKXMOO-UHFFFAOYSA-M
MW162.16 g/mol
LogP-1.22
Rot. Bonds1

About sodium;4-ethylphenol;hydroxide

sodium;4-ethylphenol;hydroxide (PubChem CID 160913882) has the molecular formula C8H11NaO2 and a molecular weight of 162.16 g/mol. Its IUPAC name is sodium;4-ethylphenol;hydroxide.

Molecular Properties

Compound Namesodium;4-ethylphenol;hydroxide
PubChem CID160913882
Molecular FormulaC8H11NaO2
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namesodium;4-ethylphenol;hydroxide
SMILESCCc1ccc(O)cc1.[Na+].[OH-]
InChIInChI=1S/C8H10O.Na.H2O/c1-2-7-3-5-8(9)6-4-7;;/h3-6,9H,2H2,1H3;;1H2/q;+1;/p-1
InChIKeySRDLGSQZWKXMOO-UHFFFAOYSA-M
XLogP-1.22
TPSA50.23 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 ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium;4-ethylphenol;hydroxide?
The IUPAC name of sodium;4-ethylphenol;hydroxide (CID 160913882) is sodium;4-ethylphenol;hydroxide.
What is the SMILES notation for sodium;4-ethylphenol;hydroxide?
The canonical SMILES for sodium;4-ethylphenol;hydroxide is CCc1ccc(O)cc1.[Na+].[OH-].
What is the InChIKey of sodium;4-ethylphenol;hydroxide?
The InChIKey is SRDLGSQZWKXMOO-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10O.Na.H2O/c1-2-7-3-5-8(9)6-4-7;;/h3-6,9H,2H2,1H3;;1H2/q;+1;/p-1.
What are the key properties of sodium;4-ethylphenol;hydroxide?
sodium;4-ethylphenol;hydroxide has a molecular weight of 162.16 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-ethylphenol;hydroxide is sourced from PubChem (CID 160913882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).