2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol

C19H15NO — CID 134133715

IUPAC2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol
SMILESCc1cc(C#Cc2ccc3ccccc3n2)cc(C)c1O
InChIInChI=1S/C19H15NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,8,10-12,21H,1-2H3
InChIKeyWEGVWRPALBCAIN-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.96
Rot. Bonds

About 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol

2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol (PubChem CID 134133715) has the molecular formula C19H15NO and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol
PubChem CID134133715
Molecular FormulaC19H15NO
Molecular Weight273.34 g/mol
Exact Mass273.12
IUPAC Name2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol
SMILESCc1cc(C#Cc2ccc3ccccc3n2)cc(C)c1O
InChIInChI=1S/C19H15NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,8,10-12,21H,1-2H3
InChIKeyWEGVWRPALBCAIN-UHFFFAOYSA-N
XLogP3.96
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol?
The IUPAC name of 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol (CID 134133715) is 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol?
The canonical SMILES for 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol is Cc1cc(C#Cc2ccc3ccccc3n2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol?
The InChIKey is WEGVWRPALBCAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO/c1-13-11-15(12-14(2)19(13)21)7-9-17-10-8-16-5-3-4-6-18(16)20-17/h3-6,8,10-12,21H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol?
2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol has a molecular weight of 273.34 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(2-quinolin-2-ylethynyl)phenol is sourced from PubChem (CID 134133715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).