potassium 1-phenylbutan-1-olate

C10H13KO — CID 70503284

IUPACpotassium 1-phenylbutan-1-olate
SMILESCCCC([O-])c1ccccc1.[K+]
InChIInChI=1S/C10H13O.K/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3;/q-1;+1
InChIKeyHWMCNVBDGREWIN-UHFFFAOYSA-N
MW188.31 g/mol
LogP-1.11
Rot. Bonds3

About potassium 1-phenylbutan-1-olate

potassium 1-phenylbutan-1-olate (PubChem CID 70503284) has the molecular formula C10H13KO and a molecular weight of 188.31 g/mol. Its IUPAC name is potassium 1-phenylbutan-1-olate.

Molecular Properties

Compound Namepotassium 1-phenylbutan-1-olate
PubChem CID70503284
Molecular FormulaC10H13KO
Molecular Weight188.31 g/mol
Exact Mass188.06
IUPAC Namepotassium 1-phenylbutan-1-olate
SMILESCCCC([O-])c1ccccc1.[K+]
InChIInChI=1S/C10H13O.K/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3;/q-1;+1
InChIKeyHWMCNVBDGREWIN-UHFFFAOYSA-N
XLogP-1.11
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

sodium 1-phenylbutan-1-olate
CID 70503341
butane;1-phenylethane-1,2-diolate;tin(2+)
CID 171375655
pentan-2-ylbenzene
CID 17627
1-phenylbutylsilane
CID 173332415
CID 19876403
CID 19876403
4-methylheptan-2-ylbenzene
CID 21055597
diphenylmethanolate
CID 57466266
1-chloropentan-2-ylbenzene
CID 524326
1,1-diphenylhexan-3-ylbenzene
CID 57087261
1-phenyl-2-propylpentan-1-ol
CID 82987900
2-phenylpentan-1-amine
CID 14321247
sodium diphenylmethanolate
CID 22420719

Frequently Asked Questions

What is the IUPAC name of potassium 1-phenylbutan-1-olate?
The IUPAC name of potassium 1-phenylbutan-1-olate (CID 70503284) is potassium 1-phenylbutan-1-olate.
What is the SMILES notation for potassium 1-phenylbutan-1-olate?
The canonical SMILES for potassium 1-phenylbutan-1-olate is CCCC([O-])c1ccccc1.[K+].
What is the InChIKey of potassium 1-phenylbutan-1-olate?
The InChIKey is HWMCNVBDGREWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13O.K/c1-2-6-10(11)9-7-4-3-5-8-9;/h3-5,7-8,10H,2,6H2,1H3;/q-1;+1.
What are the key properties of potassium 1-phenylbutan-1-olate?
potassium 1-phenylbutan-1-olate has a molecular weight of 188.31 g/mol, XLogP of -1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1-phenylbutan-1-olate is sourced from PubChem (CID 70503284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).