5-(hexoxymethyl)-2-methylquinolin-8-ol

C17H23NO2 — CID 15817747

IUPAC5-(hexoxymethyl)-2-methylquinolin-8-ol
SMILESCCCCCCOCc1ccc(O)c2nc(C)ccc12
InChIInChI=1S/C17H23NO2/c1-3-4-5-6-11-20-12-14-8-10-16(19)17-15(14)9-7-13(2)18-17/h7-10,19H,3-6,11-12H2,1-2H3
InChIKeyXCFVACWGDGLTLO-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.35
Rot. Bonds7

About 5-(hexoxymethyl)-2-methylquinolin-8-ol

5-(hexoxymethyl)-2-methylquinolin-8-ol (PubChem CID 15817747) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-(hexoxymethyl)-2-methylquinolin-8-ol.

Molecular Properties

Compound Name5-(hexoxymethyl)-2-methylquinolin-8-ol
PubChem CID15817747
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name5-(hexoxymethyl)-2-methylquinolin-8-ol
SMILESCCCCCCOCc1ccc(O)c2nc(C)ccc12
InChIInChI=1S/C17H23NO2/c1-3-4-5-6-11-20-12-14-8-10-16(19)17-15(14)9-7-13(2)18-17/h7-10,19H,3-6,11-12H2,1-2H3
InChIKeyXCFVACWGDGLTLO-UHFFFAOYSA-N
XLogP4.35
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.35
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

5-hexoxy-2-methylquinolin-8-ol
CID 101001926
5-(octoxymethyl)quinolin-8-ol;hydrochloride
CID 46946912
1-(hexoxymethyl)naphthalene
CID 18427527
2-(8-hydroxy-2-methylquinolin-5-yl)acetaldehyde
CID 87246653
2,6-dichloro-3-(octoxymethyl)pyridine
CID 106994491
5,8-bis(hexoxymethyl)naphthalene-2,3-dicarbonitrile
CID 15325929
4-(hexadecoxymethyl)benzene-1,3-diamine
CID 139899146
2,5-bis(octoxymethyl)benzene-1,4-diamine
CID 100995766
4-(hexoxymethyl)phenol
CID 14816980
4-[2-(2-butoxyethoxy)ethoxymethyl]-5-octylbenzene-1,2-diol
CID 135213419
11,12-bis(decoxymethyl)quinoxalino[2,3-f][1,10]phenanthroline
CID 102391462
3-(octacosoxymethyl)-1H-indole
CID 11512197

Frequently Asked Questions

What is the IUPAC name of 5-(hexoxymethyl)-2-methylquinolin-8-ol?
The IUPAC name of 5-(hexoxymethyl)-2-methylquinolin-8-ol (CID 15817747) is 5-(hexoxymethyl)-2-methylquinolin-8-ol.
What is the SMILES notation for 5-(hexoxymethyl)-2-methylquinolin-8-ol?
The canonical SMILES for 5-(hexoxymethyl)-2-methylquinolin-8-ol is CCCCCCOCc1ccc(O)c2nc(C)ccc12.
What is the InChIKey of 5-(hexoxymethyl)-2-methylquinolin-8-ol?
The InChIKey is XCFVACWGDGLTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-3-4-5-6-11-20-12-14-8-10-16(19)17-15(14)9-7-13(2)18-17/h7-10,19H,3-6,11-12H2,1-2H3.
What are the key properties of 5-(hexoxymethyl)-2-methylquinolin-8-ol?
5-(hexoxymethyl)-2-methylquinolin-8-ol has a molecular weight of 273.38 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hexoxymethyl)-2-methylquinolin-8-ol is sourced from PubChem (CID 15817747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).