potassium 2-methyl-3,4-dihydronaphthalen-1-olate

C11H11KO — CID 23704656

IUPACpotassium 2-methyl-3,4-dihydronaphthalen-1-olate
SMILESCC1=C([O-])c2ccccc2CC1.[K+]
InChIInChI=1S/C11H12O.K/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;/h2-5,12H,6-7H2,1H3;/q;+1/p-1
InChIKeyHRSOVJZBCCJELQ-UHFFFAOYSA-M
MW198.31 g/mol
LogP-1.27
Rot. Bonds

About potassium 2-methyl-3,4-dihydronaphthalen-1-olate

potassium 2-methyl-3,4-dihydronaphthalen-1-olate (PubChem CID 23704656) has the molecular formula C11H11KO and a molecular weight of 198.31 g/mol. Its IUPAC name is potassium 2-methyl-3,4-dihydronaphthalen-1-olate.

Molecular Properties

Compound Namepotassium 2-methyl-3,4-dihydronaphthalen-1-olate
PubChem CID23704656
Molecular FormulaC11H11KO
Molecular Weight198.31 g/mol
Exact Mass198.04
IUPAC Namepotassium 2-methyl-3,4-dihydronaphthalen-1-olate
SMILESCC1=C([O-])c2ccccc2CC1.[K+]
InChIInChI=1S/C11H12O.K/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;/h2-5,12H,6-7H2,1H3;/q;+1/p-1
InChIKeyHRSOVJZBCCJELQ-UHFFFAOYSA-M
XLogP-1.27
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 5-1.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze potassium 2-methyl-3,4-dihydronaphthalen-1-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-methyl-1,2-dihydronaphthalene
CID 12009186
9,10-dihydrophenanthrene;ethane
CID 143759681
9,10-dihydrophenanthrene;methane
CID 174728506
tetracyclo[14.4.0.02,7.08,13]icosa-1(20),2,4,6,8,10,12,16,18-nonaene
CID 12568460
2,3-dihydroindene-1-thione;ethane
CID 142140670
2-propan-2-ylidenetricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 59340364
1,2,3,4-tetramethyl-9,10-dihydrophenanthrene
CID 175462605
7-methyl-8,9-dihydrobenzo[7]annulen-5-one
CID 25023067
2,3-dihydroinden-1-ylidenezirconium(2+)
CID 162023377
4-(2-butan-2-ylphenyl)-3-methyl-1,2-dihydronaphthalene
CID 144810375
bis(2-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-3,4-dihydronaphthalen-1-olate);nickel(2+)
CID 139204046
18-methylpentacyclo[21.4.0.02,7.09,14.015,20]heptacosa-1(27),2,4,6,9,11,13,15(20),16,18,23,25-dodecaene
CID 143650268

Frequently Asked Questions

What is the IUPAC name of potassium 2-methyl-3,4-dihydronaphthalen-1-olate?
The IUPAC name of potassium 2-methyl-3,4-dihydronaphthalen-1-olate (CID 23704656) is potassium 2-methyl-3,4-dihydronaphthalen-1-olate.
What is the SMILES notation for potassium 2-methyl-3,4-dihydronaphthalen-1-olate?
The canonical SMILES for potassium 2-methyl-3,4-dihydronaphthalen-1-olate is CC1=C([O-])c2ccccc2CC1.[K+].
What is the InChIKey of potassium 2-methyl-3,4-dihydronaphthalen-1-olate?
The InChIKey is HRSOVJZBCCJELQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H12O.K/c1-8-6-7-9-4-2-3-5-10(9)11(8)12;/h2-5,12H,6-7H2,1H3;/q;+1/p-1.
What are the key properties of potassium 2-methyl-3,4-dihydronaphthalen-1-olate?
potassium 2-methyl-3,4-dihydronaphthalen-1-olate has a molecular weight of 198.31 g/mol, XLogP of -1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-methyl-3,4-dihydronaphthalen-1-olate is sourced from PubChem (CID 23704656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).