5-tert-butyl-2-methylquinolin-8-ol

C14H17NO — CID 59538406

IUPAC5-tert-butyl-2-methylquinolin-8-ol
SMILESCc1ccc2c(C(C)(C)C)ccc(O)c2n1
InChIInChI=1S/C14H17NO/c1-9-5-6-10-11(14(2,3)4)7-8-12(16)13(10)15-9/h5-8,16H,1-4H3
InChIKeyXPRQIEIXISQVIP-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.55
Rot. Bonds

About 5-tert-butyl-2-methylquinolin-8-ol

5-tert-butyl-2-methylquinolin-8-ol (PubChem CID 59538406) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 5-tert-butyl-2-methylquinolin-8-ol.

Molecular Properties

Compound Name5-tert-butyl-2-methylquinolin-8-ol
PubChem CID59538406
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name5-tert-butyl-2-methylquinolin-8-ol
SMILESCc1ccc2c(C(C)(C)C)ccc(O)c2n1
InChIInChI=1S/C14H17NO/c1-9-5-6-10-11(14(2,3)4)7-8-12(16)13(10)15-9/h5-8,16H,1-4H3
InChIKeyXPRQIEIXISQVIP-UHFFFAOYSA-N
XLogP3.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methylquinolin-8-ol?
The IUPAC name of 5-tert-butyl-2-methylquinolin-8-ol (CID 59538406) is 5-tert-butyl-2-methylquinolin-8-ol.
What is the SMILES notation for 5-tert-butyl-2-methylquinolin-8-ol?
The canonical SMILES for 5-tert-butyl-2-methylquinolin-8-ol is Cc1ccc2c(C(C)(C)C)ccc(O)c2n1.
What is the InChIKey of 5-tert-butyl-2-methylquinolin-8-ol?
The InChIKey is XPRQIEIXISQVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-5-6-10-11(14(2,3)4)7-8-12(16)13(10)15-9/h5-8,16H,1-4H3.
What are the key properties of 5-tert-butyl-2-methylquinolin-8-ol?
5-tert-butyl-2-methylquinolin-8-ol has a molecular weight of 215.30 g/mol, XLogP of 3.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methylquinolin-8-ol is sourced from PubChem (CID 59538406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).