3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)

C15H11ORb — CID 58923366

IUPAC3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)
SMILESCc1c[c-]c2c(c1)Cc1ccccc1C2=O.[Rb+]
InChIInChI=1S/C15H11O.Rb/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15(14)16;/h2-6,8H,9H2,1H3;/q-1;+1
InChIKeyPNWHKSIGKFPFGJ-UHFFFAOYSA-N
MW292.72 g/mol
LogP-0.07
Rot. Bonds

About 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)

3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) (PubChem CID 58923366) has the molecular formula C15H11ORb and a molecular weight of 292.72 g/mol. Its IUPAC name is 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+).

Molecular Properties

Compound Name3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)
PubChem CID58923366
Molecular FormulaC15H11ORb
Molecular Weight292.72 g/mol
Exact Mass291.99
IUPAC Name3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)
SMILESCc1c[c-]c2c(c1)Cc1ccccc1C2=O.[Rb+]
InChIInChI=1S/C15H11O.Rb/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15(14)16;/h2-6,8H,9H2,1H3;/q-1;+1
InChIKeyPNWHKSIGKFPFGJ-UHFFFAOYSA-N
XLogP-0.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)?
The IUPAC name of 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) (CID 58923366) is 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+).
What is the SMILES notation for 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)?
The canonical SMILES for 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) is Cc1c[c-]c2c(c1)Cc1ccccc1C2=O.[Rb+].
What is the InChIKey of 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)?
The InChIKey is PNWHKSIGKFPFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11O.Rb/c1-10-6-7-14-12(8-10)9-11-4-2-3-5-13(11)15(14)16;/h2-6,8H,9H2,1H3;/q-1;+1.
What are the key properties of 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+)?
3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) has a molecular weight of 292.72 g/mol, XLogP of -0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,10-dihydroanthracen-1-id-9-one;rubidium(1+) is sourced from PubChem (CID 58923366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).