[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol

C18H25NO2 — CID 63445899

IUPAC[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
SMILESCCCCC(CC)COc1nc(CO)cc2ccccc12
InChIInChI=1S/C18H25NO2/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-15(17)11-16(12-20)19-18/h6-7,9-11,14,20H,3-5,8,12-13H2,1-2H3
InChIKeyTYPDFLVGVYCDJD-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.32
Rot. Bonds8

About [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol

[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol (PubChem CID 63445899) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
PubChem CID63445899
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol
SMILESCCCCC(CC)COc1nc(CO)cc2ccccc12
InChIInChI=1S/C18H25NO2/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-15(17)11-16(12-20)19-18/h6-7,9-11,14,20H,3-5,8,12-13H2,1-2H3
InChIKeyTYPDFLVGVYCDJD-UHFFFAOYSA-N
XLogP4.32
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
[2-(2-ethylhexoxy)-3-pyridinyl]methanol
CID 61257576
[1-(2-ethylhexoxy)isoquinolin-4-yl]methanamine
CID 106777323
N-[[1-(2-methylpentoxy)isoquinolin-3-yl]methyl]ethanamine
CID 103285490
[1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]isoquinolin-3-yl]methanol
CID 115942389
4-[4-anthracen-9-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 164768801
[1-(3,5-dimethylphenoxy)isoquinolin-3-yl]methanol
CID 61255876
1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
(1-ethoxyisoquinolin-3-yl)methanamine
CID 62290468
[3-bromo-4-(2-ethylhexoxy)phenyl]methanol
CID 63533684
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
2-(2-ethylhexoxy)-6-methylpyridine-3-carboxylic acid
CID 63514366

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol?
The IUPAC name of [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol (CID 63445899) is [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol.
What is the SMILES notation for [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol?
The canonical SMILES for [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol is CCCCC(CC)COc1nc(CO)cc2ccccc12.
What is the InChIKey of [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol?
The InChIKey is TYPDFLVGVYCDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-5-8-14(4-2)13-21-18-17-10-7-6-9-15(17)11-16(12-20)19-18/h6-7,9-11,14,20H,3-5,8,12-13H2,1-2H3.
What are the key properties of [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol?
[1-(2-ethylhexoxy)isoquinolin-3-yl]methanol has a molecular weight of 287.40 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylhexoxy)isoquinolin-3-yl]methanol is sourced from PubChem (CID 63445899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).