potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid

C14H13KO3S — CID 173416699

IUPACpotassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCSc1ccccc1.[H-].[K+]
InChIInChI=1S/C14H12O3S.K.H/c15-14(16)12-8-4-5-9-13(12)17-10-18-11-6-2-1-3-7-11;;/h1-9H,10H2,(H,15,16);;/q;+1;-1
InChIKeyOLCJPJQJWSGLJI-UHFFFAOYSA-N
MW300.42 g/mol
LogP0.63
Rot. Bonds5

About potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid

potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid (PubChem CID 173416699) has the molecular formula C14H13KO3S and a molecular weight of 300.42 g/mol. Its IUPAC name is potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid.

Molecular Properties

Compound Namepotassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid
PubChem CID173416699
Molecular FormulaC14H13KO3S
Molecular Weight300.42 g/mol
Exact Mass300.02
IUPAC Namepotassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCSc1ccccc1.[H-].[K+]
InChIInChI=1S/C14H12O3S.K.H/c15-14(16)12-8-4-5-9-13(12)17-10-18-11-6-2-1-3-7-11;;/h1-9H,10H2,(H,15,16);;/q;+1;-1
InChIKeyOLCJPJQJWSGLJI-UHFFFAOYSA-N
XLogP0.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

potassium;2-ethoxybenzoic acid;hydride
CID 175278645
heptyl 2-(phenylsulfanylmethoxy)benzoate
CID 23321453
2-ethoxybenzoic acid;zinc
CID 172723273
2-(fluoromethoxy)benzoic acid;hydrochloride
CID 141112682
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-prop-2-enoxybenzoic acid;hydrochloride
CID 70025071
2-phenacyloxybenzoic acid
CID 23764826
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
CID 70191473
CID 70191473

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid?
The IUPAC name of potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid (CID 173416699) is potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid.
What is the SMILES notation for potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid?
The canonical SMILES for potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid is O=C(O)c1ccccc1OCSc1ccccc1.[H-].[K+].
What is the InChIKey of potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid?
The InChIKey is OLCJPJQJWSGLJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3S.K.H/c15-14(16)12-8-4-5-9-13(12)17-10-18-11-6-2-1-3-7-11;;/h1-9H,10H2,(H,15,16);;/q;+1;-1.
What are the key properties of potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid?
potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid has a molecular weight of 300.42 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;2-(phenylsulfanylmethoxy)benzoic acid is sourced from PubChem (CID 173416699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).