sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid

C20H17NaO5 — CID 173336218

IUPACsodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1.[H-].[Na+]
InChIInChI=1S/C20H16O5.Na.H/c21-19(20(22)23)15-6-8-17(9-7-15)24-11-12-25-18-10-5-14-3-1-2-4-16(14)13-18;;/h1-10,13H,11-12H2,(H,22,23);;/q;+1;-1
InChIKeyXPAJWIOYYUNTML-UHFFFAOYSA-N
MW360.34 g/mol
LogP0.68
Rot. Bonds7

About sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid

sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid (PubChem CID 173336218) has the molecular formula C20H17NaO5 and a molecular weight of 360.34 g/mol. Its IUPAC name is sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid.

Molecular Properties

Compound Namesodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
PubChem CID173336218
Molecular FormulaC20H17NaO5
Molecular Weight360.34 g/mol
Exact Mass360.10
IUPAC Namesodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1.[H-].[Na+]
InChIInChI=1S/C20H16O5.Na.H/c21-19(20(22)23)15-6-8-17(9-7-15)24-11-12-25-18-10-5-14-3-1-2-4-16(14)13-18;;/h1-10,13H,11-12H2,(H,22,23);;/q;+1;-1
InChIKeyXPAJWIOYYUNTML-UHFFFAOYSA-N
XLogP0.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-dichloro-4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid
CID 19004330
2-[4-(3-naphthalen-2-yloxypropylsulfonyl)phenyl]-2-oxoacetic acid
CID 19004516
2-[4-(4-naphthalen-2-ylsulfanylbutoxy)phenyl]-2-oxoacetic acid
CID 19004425
2-[2-(2-naphthalen-2-yloxyethoxy)-3-pyridinyl]-2-oxoacetic acid
CID 57094274
(2Z)-2-(carbamoylhydrazinylidene)-2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]acetic acid
CID 19004364
2-[4-[4-(3-fluorophenoxy)butoxy]phenyl]-2-oxoacetic acid
CID 19004356
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
naphthalen-2-yl 4-(2-phenylethoxy)benzoate
CID 23012279
1-[3,5-difluoro-4-(2-naphthalen-2-yloxyethoxy)phenyl]ethanone
CID 19004540
2-methylidene-12-naphthalen-2-yloxydodecanoic acid
CID 118914918
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid?
The IUPAC name of sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid (CID 173336218) is sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid.
What is the SMILES notation for sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid?
The canonical SMILES for sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid is O=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid?
The InChIKey is XPAJWIOYYUNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O5.Na.H/c21-19(20(22)23)15-6-8-17(9-7-15)24-11-12-25-18-10-5-14-3-1-2-4-16(14)13-18;;/h1-10,13H,11-12H2,(H,22,23);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid?
sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid has a molecular weight of 360.34 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[4-(2-naphthalen-2-yloxyethoxy)phenyl]-2-oxoacetic acid is sourced from PubChem (CID 173336218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).