2,2,4-trimethyl-1H-quinolin-6-ol

C12H15NO — CID 599799

IUPAC2,2,4-trimethyl-1H-quinolin-6-ol
SMILESCC1=CC(C)(C)Nc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
InChIKeyQSINDHMECZQCAW-UHFFFAOYSA-N
MW189.26 g/mol
LogP3.00
Rot. Bonds

About 2,2,4-trimethyl-1H-quinolin-6-ol

2,2,4-trimethyl-1H-quinolin-6-ol (PubChem CID 599799) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2,2,4-trimethyl-1H-quinolin-6-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-1H-quinolin-6-ol
PubChem CID599799
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2,2,4-trimethyl-1H-quinolin-6-ol
SMILESCC1=CC(C)(C)Nc2ccc(O)cc21
InChIInChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3
InChIKeyQSINDHMECZQCAW-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1H-quinolin-6-ol?
The IUPAC name of 2,2,4-trimethyl-1H-quinolin-6-ol (CID 599799) is 2,2,4-trimethyl-1H-quinolin-6-ol.
What is the SMILES notation for 2,2,4-trimethyl-1H-quinolin-6-ol?
The canonical SMILES for 2,2,4-trimethyl-1H-quinolin-6-ol is CC1=CC(C)(C)Nc2ccc(O)cc21.
What is the InChIKey of 2,2,4-trimethyl-1H-quinolin-6-ol?
The InChIKey is QSINDHMECZQCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-7-12(2,3)13-11-5-4-9(14)6-10(8)11/h4-7,13-14H,1-3H3.
What are the key properties of 2,2,4-trimethyl-1H-quinolin-6-ol?
2,2,4-trimethyl-1H-quinolin-6-ol has a molecular weight of 189.26 g/mol, XLogP of 3.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1H-quinolin-6-ol is sourced from PubChem (CID 599799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).