sodium 2-naphthalen-2-ylacetate

C12H9NaO2 — CID 23688045

IUPACsodium 2-naphthalen-2-ylacetate
SMILESO=C([O-])Cc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C12H10O2.Na/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyUAJDYZMDUOVMHT-UHFFFAOYSA-M
MW208.19 g/mol
LogP-1.86
Rot. Bonds2

About sodium 2-naphthalen-2-ylacetate

sodium 2-naphthalen-2-ylacetate (PubChem CID 23688045) has the molecular formula C12H9NaO2 and a molecular weight of 208.19 g/mol. Its IUPAC name is sodium 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namesodium 2-naphthalen-2-ylacetate
PubChem CID23688045
Molecular FormulaC12H9NaO2
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namesodium 2-naphthalen-2-ylacetate
SMILESO=C([O-])Cc1ccc2ccccc2c1.[Na+]
InChIInChI=1S/C12H10O2.Na/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);/q;+1/p-1
InChIKeyUAJDYZMDUOVMHT-UHFFFAOYSA-M
XLogP-1.86
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-1.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-naphthalen-2-yl-2-oxopropanamide
CID 57061050
2-naphthalen-2-ylacetic acid;hydrate
CID 141284527
CID 173442082
CID 173442082
iodo 2-naphthalen-2-ylacetate
CID 129274840
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
CID 162695032
CID 162695032
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
tris[(2-naphthalen-2-ylacetyl)oxy]stannyl 2-naphthalen-2-ylacetate
CID 141032751
2-naphthalen-2-yl-1-(2,3,4-trihydroxyphenyl)ethanone
CID 102033077
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
(Z)-5-naphthalen-2-yl-4-oxopent-2-enoic acid
CID 59268445
(2R)-2-[(2-naphthalen-2-ylacetyl)amino]-2-phenylacetamide
CID 42377162

Frequently Asked Questions

What is the IUPAC name of sodium 2-naphthalen-2-ylacetate?
The IUPAC name of sodium 2-naphthalen-2-ylacetate (CID 23688045) is sodium 2-naphthalen-2-ylacetate.
What is the SMILES notation for sodium 2-naphthalen-2-ylacetate?
The canonical SMILES for sodium 2-naphthalen-2-ylacetate is O=C([O-])Cc1ccc2ccccc2c1.[Na+].
What is the InChIKey of sodium 2-naphthalen-2-ylacetate?
The InChIKey is UAJDYZMDUOVMHT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H10O2.Na/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7H,8H2,(H,13,14);/q;+1/p-1.
What are the key properties of sodium 2-naphthalen-2-ylacetate?
sodium 2-naphthalen-2-ylacetate has a molecular weight of 208.19 g/mol, XLogP of -1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-naphthalen-2-ylacetate is sourced from PubChem (CID 23688045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).