6-ethynyl-1-methylnaphthalene

C13H10 — CID 157097712

IUPAC6-ethynyl-1-methylnaphthalene
SMILESC#Cc1ccc2c(C)cccc2c1
InChIInChI=1S/C13H10/c1-3-11-7-8-13-10(2)5-4-6-12(13)9-11/h1,4-9H,2H3
InChIKeyZOJXVQYONBRUHR-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.13
Rot. Bonds

About 6-ethynyl-1-methylnaphthalene

6-ethynyl-1-methylnaphthalene (PubChem CID 157097712) has the molecular formula C13H10 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-ethynyl-1-methylnaphthalene.

Molecular Properties

Compound Name6-ethynyl-1-methylnaphthalene
PubChem CID157097712
Molecular FormulaC13H10
Molecular Weight166.22 g/mol
Exact Mass166.08
IUPAC Name6-ethynyl-1-methylnaphthalene
SMILESC#Cc1ccc2c(C)cccc2c1
InChIInChI=1S/C13H10/c1-3-11-7-8-13-10(2)5-4-6-12(13)9-11/h1,4-9H,2H3
InChIKeyZOJXVQYONBRUHR-UHFFFAOYSA-N
XLogP3.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-ethynyl-1-methylnaphthalene 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 6-ethynyl-1-methylnaphthalene?
The IUPAC name of 6-ethynyl-1-methylnaphthalene (CID 157097712) is 6-ethynyl-1-methylnaphthalene.
What is the SMILES notation for 6-ethynyl-1-methylnaphthalene?
The canonical SMILES for 6-ethynyl-1-methylnaphthalene is C#Cc1ccc2c(C)cccc2c1.
What is the InChIKey of 6-ethynyl-1-methylnaphthalene?
The InChIKey is ZOJXVQYONBRUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10/c1-3-11-7-8-13-10(2)5-4-6-12(13)9-11/h1,4-9H,2H3.
What are the key properties of 6-ethynyl-1-methylnaphthalene?
6-ethynyl-1-methylnaphthalene has a molecular weight of 166.22 g/mol, XLogP of 3.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1-methylnaphthalene is sourced from PubChem (CID 157097712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).