2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol

C12H17NO — CID 3684642

IUPAC2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol
SMILESCC1CC(C)(C)Nc2c(O)cccc21
InChIInChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8,13-14H,7H2,1-3H3
InChIKeyHMBHFDWNPXCSFW-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.09
Rot. Bonds

About 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol

2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol (PubChem CID 3684642) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol.

Molecular Properties

Compound Name2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol
PubChem CID3684642
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol
SMILESCC1CC(C)(C)Nc2c(O)cccc21
InChIInChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8,13-14H,7H2,1-3H3
InChIKeyHMBHFDWNPXCSFW-UHFFFAOYSA-N
XLogP3.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol?
The IUPAC name of 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol (CID 3684642) is 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol.
What is the SMILES notation for 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol?
The canonical SMILES for 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol is CC1CC(C)(C)Nc2c(O)cccc21.
What is the InChIKey of 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol?
The InChIKey is HMBHFDWNPXCSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8-7-12(2,3)13-11-9(8)5-4-6-10(11)14/h4-6,8,13-14H,7H2,1-3H3.
What are the key properties of 2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol?
2,2,4-trimethyl-3,4-dihydro-1H-quinolin-8-ol has a molecular weight of 191.27 g/mol, XLogP of 3.09, 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-3,4-dihydro-1H-quinolin-8-ol is sourced from PubChem (CID 3684642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).