1-(5-propan-2-ylquinolin-2-yl)ethenol

C14H15NO — CID 158242850

IUPAC1-(5-propan-2-ylquinolin-2-yl)ethenol
SMILESC=C(O)c1ccc2c(C(C)C)cccc2n1
InChIInChI=1S/C14H15NO/c1-9(2)11-5-4-6-14-12(11)7-8-13(15-14)10(3)16/h4-9,16H,3H2,1-2H3
InChIKeySRDZPZRWHAAULN-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.89
Rot. Bonds2

About 1-(5-propan-2-ylquinolin-2-yl)ethenol

1-(5-propan-2-ylquinolin-2-yl)ethenol (PubChem CID 158242850) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(5-propan-2-ylquinolin-2-yl)ethenol.

Molecular Properties

Compound Name1-(5-propan-2-ylquinolin-2-yl)ethenol
PubChem CID158242850
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name1-(5-propan-2-ylquinolin-2-yl)ethenol
SMILESC=C(O)c1ccc2c(C(C)C)cccc2n1
InChIInChI=1S/C14H15NO/c1-9(2)11-5-4-6-14-12(11)7-8-13(15-14)10(3)16/h4-9,16H,3H2,1-2H3
InChIKeySRDZPZRWHAAULN-UHFFFAOYSA-N
XLogP3.89
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-(5-propan-2-ylquinolin-2-yl)ethenol 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

5-propan-2-ylquinoline-2-carboxylic acid
CID 166734564
5-propan-2-ylnaphthalen-2-ol
CID 19011144
CID 158967293
CID 158967293
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
2-tert-butyl-5-propan-2-ylquinazoline
CID 166928250
2,4-di(propan-2-yl)indazole
CID 166044650
1-(4-propan-2-ylquinolin-8-yl)ethenol
CID 158073547
2-bromo-4-propan-2-ylquinoline
CID 146082408
1-propan-2-ylphenanthrene
CID 12628671
trimethyl-(4-propan-2-ylquinolin-2-yl)oxysilane
CID 134989647
6-phenyl-1-propan-2-ylnaphthalene
CID 176757319
2-ethyl-4-propan-2-ylquinoline
CID 144871804

Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-ylquinolin-2-yl)ethenol?
The IUPAC name of 1-(5-propan-2-ylquinolin-2-yl)ethenol (CID 158242850) is 1-(5-propan-2-ylquinolin-2-yl)ethenol.
What is the SMILES notation for 1-(5-propan-2-ylquinolin-2-yl)ethenol?
The canonical SMILES for 1-(5-propan-2-ylquinolin-2-yl)ethenol is C=C(O)c1ccc2c(C(C)C)cccc2n1.
What is the InChIKey of 1-(5-propan-2-ylquinolin-2-yl)ethenol?
The InChIKey is SRDZPZRWHAAULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9(2)11-5-4-6-14-12(11)7-8-13(15-14)10(3)16/h4-9,16H,3H2,1-2H3.
What are the key properties of 1-(5-propan-2-ylquinolin-2-yl)ethenol?
1-(5-propan-2-ylquinolin-2-yl)ethenol has a molecular weight of 213.28 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-ylquinolin-2-yl)ethenol is sourced from PubChem (CID 158242850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).