2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium

C16H17O+ — CID 134909481

IUPAC2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium
SMILESCc1[o+]c2c(c(C)c1C)-c1ccccc1C2C
InChIInChI=1S/C16H17O/c1-9-10(2)15-14-8-6-5-7-13(14)11(3)16(15)17-12(9)4/h5-8,11H,1-4H3/q+1
InChIKeySYPLZFCKDFFZFF-UHFFFAOYSA-N
MW225.31 g/mol
LogP4.62
Rot. Bonds

About 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium

2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium (PubChem CID 134909481) has the molecular formula C16H17O+ and a molecular weight of 225.31 g/mol. Its IUPAC name is 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium.

Molecular Properties

Compound Name2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium
PubChem CID134909481
Molecular FormulaC16H17O+
Molecular Weight225.31 g/mol
Exact Mass225.13
IUPAC Name2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium
SMILESCc1[o+]c2c(c(C)c1C)-c1ccccc1C2C
InChIInChI=1S/C16H17O/c1-9-10(2)15-14-8-6-5-7-13(14)11(3)16(15)17-12(9)4/h5-8,11H,1-4H3/q+1
InChIKeySYPLZFCKDFFZFF-UHFFFAOYSA-N
XLogP4.62
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium 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 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium?
The IUPAC name of 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium (CID 134909481) is 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium.
What is the SMILES notation for 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium?
The canonical SMILES for 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium is Cc1[o+]c2c(c(C)c1C)-c1ccccc1C2C.
What is the InChIKey of 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium?
The InChIKey is SYPLZFCKDFFZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17O/c1-9-10(2)15-14-8-6-5-7-13(14)11(3)16(15)17-12(9)4/h5-8,11H,1-4H3/q+1.
What are the key properties of 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium?
2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium has a molecular weight of 225.31 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,9-tetramethyl-9H-indeno[2,1-b]pyran-1-ium is sourced from PubChem (CID 134909481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).