sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

C22H25NaO3 — CID 173391917

IUPACsodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3ccccc3C(=O)O)ccc21.[H-].[Na+]
InChIInChI=1S/C22H24O3.Na.H/c1-21(2)11-12-22(3,4)18-13-14(9-10-17(18)21)19(23)15-7-5-6-8-16(15)20(24)25;;/h5-10,13H,11-12H2,1-4H3,(H,24,25);;/q;+1;-1
InChIKeyTVEAGCQTEHTBOA-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.08
Rot. Bonds3

About sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid

sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (PubChem CID 173391917) has the molecular formula C22H25NaO3 and a molecular weight of 360.43 g/mol. Its IUPAC name is sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.

Molecular Properties

Compound Namesodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
PubChem CID173391917
Molecular FormulaC22H25NaO3
Molecular Weight360.43 g/mol
Exact Mass360.17
IUPAC Namesodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)c3ccccc3C(=O)O)ccc21.[H-].[Na+]
InChIInChI=1S/C22H24O3.Na.H/c1-21(2)11-12-22(3,4)18-13-14(9-10-17(18)21)19(23)15-7-5-6-8-16(15)20(24)25;;/h5-10,13H,11-12H2,1-4H3,(H,24,25);;/q;+1;-1
InChIKeyTVEAGCQTEHTBOA-UHFFFAOYSA-N
XLogP2.08
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 10023043
4-(5,5,8,8-tetramethyl-6,7-dihydroanthracene-1-carbonyl)benzoic acid
CID 18615013
2-[3-(2-carboxybenzoyl)benzoyl]benzoic acid
CID 153325075
(3-ethylsulfonylnaphthalen-1-yl)-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methanone
CID 139711829
methane;4-[2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethynyl]benzoic acid
CID 158237422
4-[3-(2-fluorophenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]benzoic acid
CID 143004634
2-[1-(3-bromo-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzoic acid
CID 67664829
4-(2-acetylbenzoyl)phthalic acid
CID 71123619
3-methyl-2-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methylideneamino]benzoic acid
CID 67875463
2-[1-hydroxy-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-2-ynyl]benzoic acid
CID 67660330
4-oxo-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)butanoic acid;zinc
CID 67884276
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The IUPAC name of sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid (CID 173391917) is sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid.
What is the SMILES notation for sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The canonical SMILES for sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is CC1(C)CCC(C)(C)c2cc(C(=O)c3ccccc3C(=O)O)ccc21.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
The InChIKey is TVEAGCQTEHTBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3.Na.H/c1-21(2)11-12-22(3,4)18-13-14(9-10-17(18)21)19(23)15-7-5-6-8-16(15)20(24)25;;/h5-10,13H,11-12H2,1-4H3,(H,24,25);;/q;+1;-1.
What are the key properties of sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid?
sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid has a molecular weight of 360.43 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl)benzoic acid is sourced from PubChem (CID 173391917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).