1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol

C15H23NO2 — CID 106460181

IUPAC1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCC(C)COCCN1CCC(O)c2ccccc21
InChIInChI=1S/C15H23NO2/c1-12(2)11-18-10-9-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyUYRXFWQUUVEMPV-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.60
Rot. Bonds5

About 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol

1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol (PubChem CID 106460181) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
PubChem CID106460181
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol
SMILESCC(C)COCCN1CCC(O)c2ccccc21
InChIInChI=1S/C15H23NO2/c1-12(2)11-18-10-9-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyUYRXFWQUUVEMPV-UHFFFAOYSA-N
XLogP2.60
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 106460180
1-(2-methoxyethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337638
1-(2-methylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337617
1-[3-(dimethylamino)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 114526948
1-(2-ethylsulfanylethyl)-3,4-dihydro-2H-quinolin-4-ol
CID 114337590
1-pent-4-enyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337665
1-(3-pyrrolidin-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338475
1-benzyl-3,4-dihydro-2H-quinolin-4-ol
CID 114337756
2-(4-hydroxy-3,4-dihydro-2H-quinolin-1-yl)acetonitrile
CID 114337618
1-[(5-methyloxolan-2-yl)methyl]-3,4-dihydro-2H-quinolin-4-ol
CID 103144081
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 106454791
1-(3-methoxy-3-methylbutyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 103024198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol?
The IUPAC name of 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol (CID 106460181) is 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol is CC(C)COCCN1CCC(O)c2ccccc21.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol?
The InChIKey is UYRXFWQUUVEMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(2)11-18-10-9-16-8-7-15(17)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol?
1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol has a molecular weight of 249.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-4-ol is sourced from PubChem (CID 106460181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).