sodium 2-naphthalen-2-yloxyacetate

C12H9NaO3 — CID 23670852

IUPACsodium 2-naphthalen-2-yloxyacetate
SMILESO=C([O-])COc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C12H10O3.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyOATPCHCCLFKLTN-UHFFFAOYSA-M
MW224.19 g/mol
LogP-2.03
Rot. Bonds3

About sodium 2-naphthalen-2-yloxyacetate

sodium 2-naphthalen-2-yloxyacetate (PubChem CID 23670852) has the molecular formula C12H9NaO3 and a molecular weight of 224.19 g/mol. Its IUPAC name is sodium 2-naphthalen-2-yloxyacetate.

Molecular Properties

Compound Namesodium 2-naphthalen-2-yloxyacetate
PubChem CID23670852
Molecular FormulaC12H9NaO3
Molecular Weight224.19 g/mol
Exact Mass224.04
IUPAC Namesodium 2-naphthalen-2-yloxyacetate
SMILESO=C([O-])COc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C12H10O3.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyOATPCHCCLFKLTN-UHFFFAOYSA-M
XLogP-2.03
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.19
LogP ≤ 5-2.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxynaphthalene
CID 7119
2-Naphthoxyacetic acid
CID 8422
Ethyl (p-tolyloxy)acetate
CID 4047281
2-((1-Naphthalenyloxy)methyl)oxirane
CID 91521
2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
Propanoic acid, 2-(1-naphthalenyloxy)-
CID 85662
Naphthoxyacetic acid
CID 76313
Benzyl 2-naphthyl ether
CID 123080
1-Naphthyl acetate
CID 13247
2-(4-Biphenylyloxy)propionic acid
CID 101181
Butyl beta-naphthyl ether
CID 82664

Frequently Asked Questions

What is the IUPAC name of sodium 2-naphthalen-2-yloxyacetate?
The IUPAC name of sodium 2-naphthalen-2-yloxyacetate (CID 23670852) is sodium 2-naphthalen-2-yloxyacetate.
What is the SMILES notation for sodium 2-naphthalen-2-yloxyacetate?
The canonical SMILES for sodium 2-naphthalen-2-yloxyacetate is O=C([O-])COc1ccc2ccccc2c1.[Na+].
What is the InChIKey of sodium 2-naphthalen-2-yloxyacetate?
The InChIKey is OATPCHCCLFKLTN-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O3.Na/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;/h1-7H,8H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-naphthalen-2-yloxyacetate?
sodium 2-naphthalen-2-yloxyacetate has a molecular weight of 224.19 g/mol, XLogP of -2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-naphthalen-2-yloxyacetate is sourced from PubChem (CID 23670852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).