sodium;hydride;4-phenylbenzoic acid

C13H11NaO2 — CID 173392993

IUPACsodium;hydride;4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C13H10O2.Na.H/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;;/h1-9H,(H,14,15);;/q;+1;-1
InChIKeyWVLPFYWZEFNKBY-UHFFFAOYSA-N
MW222.22 g/mol
LogP0.17
Rot. Bonds2

About sodium;hydride;4-phenylbenzoic acid

sodium;hydride;4-phenylbenzoic acid (PubChem CID 173392993) has the molecular formula C13H11NaO2 and a molecular weight of 222.22 g/mol. Its IUPAC name is sodium;hydride;4-phenylbenzoic acid.

Molecular Properties

Compound Namesodium;hydride;4-phenylbenzoic acid
PubChem CID173392993
Molecular FormulaC13H11NaO2
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Namesodium;hydride;4-phenylbenzoic acid
SMILESO=C(O)c1ccc(-c2ccccc2)cc1.[H-].[Na+]
InChIInChI=1S/C13H10O2.Na.H/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;;/h1-9H,(H,14,15);;/q;+1;-1
InChIKeyWVLPFYWZEFNKBY-UHFFFAOYSA-N
XLogP0.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;hydride;4-phenylbenzoic acid
CID 173045180
ethane;4-phenylbenzoic acid;propane
CID 156791718
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
trisodium;benzoic acid;bismuthane;hydride
CID 174378350
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-phenylbenzoic acid;prop-2-enamide
CID 68663596
strontium;benzoic acid;hydride
CID 173012916
terephthalic acid
CID 160582437
4-phenylbenzoic acid;piperidine
CID 67667753
4-(2,3,5-triphenylphenyl)benzoic acid
CID 101126682
phenyl-(4-phenylphenyl)methanone
CID 155775877
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;4-phenylbenzoic acid?
The IUPAC name of sodium;hydride;4-phenylbenzoic acid (CID 173392993) is sodium;hydride;4-phenylbenzoic acid.
What is the SMILES notation for sodium;hydride;4-phenylbenzoic acid?
The canonical SMILES for sodium;hydride;4-phenylbenzoic acid is O=C(O)c1ccc(-c2ccccc2)cc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;4-phenylbenzoic acid?
The InChIKey is WVLPFYWZEFNKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2.Na.H/c14-13(15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;;/h1-9H,(H,14,15);;/q;+1;-1.
What are the key properties of sodium;hydride;4-phenylbenzoic acid?
sodium;hydride;4-phenylbenzoic acid has a molecular weight of 222.22 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;4-phenylbenzoic acid is sourced from PubChem (CID 173392993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).