2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol

C16H16NO+ — CID 102026442

IUPAC2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol
SMILESC[n+]1cc2cc3ccccc3cc2cc1CCO
InChIInChI=1S/C16H16NO/c1-17-11-15-9-13-5-3-2-4-12(13)8-14(15)10-16(17)6-7-18/h2-5,8-11,18H,6-7H2,1H3/q+1
InChIKeyWZFOGXSYJCDQQO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.35
Rot. Bonds2

About 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol

2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol (PubChem CID 102026442) has the molecular formula C16H16NO+ and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol.

Molecular Properties

Compound Name2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol
PubChem CID102026442
Molecular FormulaC16H16NO+
Molecular Weight238.31 g/mol
Exact Mass238.12
IUPAC Name2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol
SMILESC[n+]1cc2cc3ccccc3cc2cc1CCO
InChIInChI=1S/C16H16NO/c1-17-11-15-9-13-5-3-2-4-12(13)8-14(15)10-16(17)6-7-18/h2-5,8-11,18H,6-7H2,1H3/q+1
InChIKeyWZFOGXSYJCDQQO-UHFFFAOYSA-N
XLogP2.35
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

anthracene;ethane-1,2-diol
CID 158405305
3-ethenyl-2-methylbenzo[g]isoquinolin-2-ium
CID 102026443
anthracene;ethanol;titanium
CID 160763576
ethane;pentacene
CID 91470616
dodecacyclo[24.24.0.03,24.05,22.07,20.09,18.011,16.028,49.030,47.032,45.034,43.036,41]pentaconta-1(50),2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48-pentacosaene
CID 54171203
2,3-dimethylisoquinolin-2-ium chloride
CID 44890141
3-chloro-2-methylisoquinolin-2-ium
CID 5188840
2-[4-(2-hydroxyethyl)anthracen-2-yl]ethanol
CID 87369828
gold;pentacene
CID 162013118
4-tetracen-1-ylbutan-1-ol
CID 87369368
anthracene;hexan-1-ol
CID 174457209
anthracene;ethane;naphthalene
CID 159079166

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol?
The IUPAC name of 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol (CID 102026442) is 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol.
What is the SMILES notation for 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol?
The canonical SMILES for 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol is C[n+]1cc2cc3ccccc3cc2cc1CCO.
What is the InChIKey of 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol?
The InChIKey is WZFOGXSYJCDQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16NO/c1-17-11-15-9-13-5-3-2-4-12(13)8-14(15)10-16(17)6-7-18/h2-5,8-11,18H,6-7H2,1H3/q+1.
What are the key properties of 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol?
2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol has a molecular weight of 238.31 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzo[g]isoquinolin-2-ium-3-yl)ethanol is sourced from PubChem (CID 102026442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).