sodium;1-ethylnaphthalene;phenoxide

C18H17NaO — CID 159168482

IUPACsodium;1-ethylnaphthalene;phenoxide
SMILESCCc1cccc2ccccc12.[Na+].[O-]c1ccccc1
InChIInChI=1S/C12H12.C6H6O.Na/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;7-6-4-2-1-3-5-6;/h3-9H,2H2,1H3;1-5,7H;/q;;+1/p-1
InChIKeyKLJMDKSOCOSNBH-UHFFFAOYSA-M
MW272.32 g/mol
LogP1.17
Rot. Bonds1

About sodium;1-ethylnaphthalene;phenoxide

sodium;1-ethylnaphthalene;phenoxide (PubChem CID 159168482) has the molecular formula C18H17NaO and a molecular weight of 272.32 g/mol. Its IUPAC name is sodium;1-ethylnaphthalene;phenoxide.

Molecular Properties

Compound Namesodium;1-ethylnaphthalene;phenoxide
PubChem CID159168482
Molecular FormulaC18H17NaO
Molecular Weight272.32 g/mol
Exact Mass272.12
IUPAC Namesodium;1-ethylnaphthalene;phenoxide
SMILESCCc1cccc2ccccc12.[Na+].[O-]c1ccccc1
InChIInChI=1S/C12H12.C6H6O.Na/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;7-6-4-2-1-3-5-6;/h3-9H,2H2,1H3;1-5,7H;/q;;+1/p-1
InChIKeyKLJMDKSOCOSNBH-UHFFFAOYSA-M
XLogP1.17
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;1-ethylnaphthalene;hydride
CID 174300793
azane;1-ethylnaphthalene
CID 19048185
1-ethylnaphthalene;pyrene
CID 174849884
1-ethylnaphthalene;1-phenylnaphthalene
CID 173023243
1-ethylnaphthalene;methylcyclopropane
CID 142069670
1,2-dimethylnaphthalene;1-ethylnaphthalene
CID 158986916
1-ethylnaphthalene;N-prop-1-en-2-ylprop-1-en-2-amine
CID 142138952
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
tetrasodium;tetraphenoxide
CID 159915376
1-ethylnaphthalene;prop-2-ene-1-sulfonyl chloride
CID 174651228
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
4-ethylanthracen-9-amine
CID 23131445

Frequently Asked Questions

What is the IUPAC name of sodium;1-ethylnaphthalene;phenoxide?
The IUPAC name of sodium;1-ethylnaphthalene;phenoxide (CID 159168482) is sodium;1-ethylnaphthalene;phenoxide.
What is the SMILES notation for sodium;1-ethylnaphthalene;phenoxide?
The canonical SMILES for sodium;1-ethylnaphthalene;phenoxide is CCc1cccc2ccccc12.[Na+].[O-]c1ccccc1.
What is the InChIKey of sodium;1-ethylnaphthalene;phenoxide?
The InChIKey is KLJMDKSOCOSNBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H12.C6H6O.Na/c1-2-10-7-5-8-11-6-3-4-9-12(10)11;7-6-4-2-1-3-5-6;/h3-9H,2H2,1H3;1-5,7H;/q;;+1/p-1.
What are the key properties of sodium;1-ethylnaphthalene;phenoxide?
sodium;1-ethylnaphthalene;phenoxide has a molecular weight of 272.32 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1-ethylnaphthalene;phenoxide is sourced from PubChem (CID 159168482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).