potassium 4-hydroxy-2-phenylbenzoate

C13H9KO3 — CID 69113981

IUPACpotassium 4-hydroxy-2-phenylbenzoate
SMILESO=C([O-])c1ccc(O)cc1-c1ccccc1.[K+]
InChIInChI=1S/C13H10O3.K/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9;/h1-8,14H,(H,15,16);/q;+1/p-1
InChIKeyOLCTVMXJTOJEPC-UHFFFAOYSA-M
MW252.31 g/mol
LogP-1.57
Rot. Bonds2

About potassium 4-hydroxy-2-phenylbenzoate

potassium 4-hydroxy-2-phenylbenzoate (PubChem CID 69113981) has the molecular formula C13H9KO3 and a molecular weight of 252.31 g/mol. Its IUPAC name is potassium 4-hydroxy-2-phenylbenzoate.

Molecular Properties

Compound Namepotassium 4-hydroxy-2-phenylbenzoate
PubChem CID69113981
Molecular FormulaC13H9KO3
Molecular Weight252.31 g/mol
Exact Mass252.02
IUPAC Namepotassium 4-hydroxy-2-phenylbenzoate
SMILESO=C([O-])c1ccc(O)cc1-c1ccccc1.[K+]
InChIInChI=1S/C13H10O3.K/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9;/h1-8,14H,(H,15,16);/q;+1/p-1
InChIKeyOLCTVMXJTOJEPC-UHFFFAOYSA-M
XLogP-1.57
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-1.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-carboxylato-3-phenylphenoxy)-2-phenylbenzoate
CID 21441388
disodium;4,5-diphenylphthalate
CID 134868371
2-[3-(2-carboxy-5-hydroxyphenyl)phenyl]-4-hydroxybenzoic acid
CID 146356534
2-[4-(2-carboxy-5-hydroxyphenyl)-3-phenylphenyl]-4-hydroxybenzoic acid
CID 69497360
[4-(2-benzoyl-5-hydroxyphenyl)phenyl]-phenylmethanone
CID 121317125
4-phenylthiophene-3-carboxylate
CID 6974416
3,4-diphenylphenol;sulfane
CID 172728711
azulene-1,3-dicarboxylate
CID 140764257
disodium;4-phenylphthalate
CID 134868344
formaldehyde;4-phenylbenzene-1,3-diol
CID 174408267
3,6-dihydroxy-4-phenylphthalic acid
CID 175175774
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756

Frequently Asked Questions

What is the IUPAC name of potassium 4-hydroxy-2-phenylbenzoate?
The IUPAC name of potassium 4-hydroxy-2-phenylbenzoate (CID 69113981) is potassium 4-hydroxy-2-phenylbenzoate.
What is the SMILES notation for potassium 4-hydroxy-2-phenylbenzoate?
The canonical SMILES for potassium 4-hydroxy-2-phenylbenzoate is O=C([O-])c1ccc(O)cc1-c1ccccc1.[K+].
What is the InChIKey of potassium 4-hydroxy-2-phenylbenzoate?
The InChIKey is OLCTVMXJTOJEPC-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H10O3.K/c14-10-6-7-11(13(15)16)12(8-10)9-4-2-1-3-5-9;/h1-8,14H,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 4-hydroxy-2-phenylbenzoate?
potassium 4-hydroxy-2-phenylbenzoate has a molecular weight of 252.31 g/mol, XLogP of -1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-hydroxy-2-phenylbenzoate is sourced from PubChem (CID 69113981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).