3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol

C15H19NO — CID 70983681

IUPAC3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol
SMILESCc1ccc2cccc(C(C)(C)CCO)c2n1
InChIInChI=1S/C15H19NO/c1-11-7-8-12-5-4-6-13(14(12)16-11)15(2,3)9-10-17/h4-8,17H,9-10H2,1-3H3
InChIKeyPEGDJAQADCJVJY-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.20
Rot. Bonds3

About 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol

3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol (PubChem CID 70983681) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol
PubChem CID70983681
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol
SMILESCc1ccc2cccc(C(C)(C)CCO)c2n1
InChIInChI=1S/C15H19NO/c1-11-7-8-12-5-4-6-13(14(12)16-11)15(2,3)9-10-17/h4-8,17H,9-10H2,1-3H3
InChIKeyPEGDJAQADCJVJY-UHFFFAOYSA-N
XLogP3.20
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol?
The IUPAC name of 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol (CID 70983681) is 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol?
The canonical SMILES for 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol is Cc1ccc2cccc(C(C)(C)CCO)c2n1.
What is the InChIKey of 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol?
The InChIKey is PEGDJAQADCJVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11-7-8-12-5-4-6-13(14(12)16-11)15(2,3)9-10-17/h4-8,17H,9-10H2,1-3H3.
What are the key properties of 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol?
3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol has a molecular weight of 229.32 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylquinolin-8-yl)butan-1-ol is sourced from PubChem (CID 70983681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).