2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol

C12H17NO — CID 86069695

IUPAC2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol
SMILESCN1Cc2ccccc2C1(C)CCO
InChIInChI=1S/C12H17NO/c1-12(7-8-14)11-6-4-3-5-10(11)9-13(12)2/h3-6,14H,7-9H2,1-2H3
InChIKeyVVQHURGCXPMXLU-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.73
Rot. Bonds2

About 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol

2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol (PubChem CID 86069695) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol.

Molecular Properties

Compound Name2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol
PubChem CID86069695
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol
SMILESCN1Cc2ccccc2C1(C)CCO
InChIInChI=1S/C12H17NO/c1-12(7-8-14)11-6-4-3-5-10(11)9-13(12)2/h3-6,14H,7-9H2,1-2H3
InChIKeyVVQHURGCXPMXLU-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(9-azatricyclo[7.2.2.02,7]trideca-2,4,6-trien-1-yl)ethanol
CID 105471532
1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)-3-hydroxypropan-1-one
CID 142480222
2,4-dimethyl-1,3-dihydroisoquinolin-4-ol
CID 13117140
(1,2-dimethyl-3,4-dihydroisoquinolin-1-yl)methyl-trimethylsilane
CID 10083330
2-ethyl-4-(2-hydroxyethyl)-4-phenyl-1H-isoquinolin-3-one
CID 57205692
1-hydroperoxy-1,2-dimethyl-3,4-dihydroisoquinoline
CID 142046783
2,5,5-trimethyl-1,4-dihydro-2-benzazepin-3-one
CID 11481120
2-[1-[1-(2-hydroxyethyl)-3,4-dihydro-2H-naphthalen-1-yl]-3,4-dihydro-2H-naphthalen-1-yl]ethanol
CID 102025626
11-cyclopropyl-5-methyl-6H-benzo[c][1]benzazepin-11-ol
CID 18917162
5,10b-dimethyl-2,4,4a,6-tetrahydro-1H-phenanthridin-3-one
CID 19960946
3-methyl-3-propyl-1,2-dihydroindene
CID 145156021
2-[(1-methyl-2,3-dihydroinden-1-yl)amino]ethanol
CID 130905101

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol?
The IUPAC name of 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol (CID 86069695) is 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol.
What is the SMILES notation for 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol?
The canonical SMILES for 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol is CN1Cc2ccccc2C1(C)CCO.
What is the InChIKey of 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol?
The InChIKey is VVQHURGCXPMXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-12(7-8-14)11-6-4-3-5-10(11)9-13(12)2/h3-6,14H,7-9H2,1-2H3.
What are the key properties of 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol?
2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol has a molecular weight of 191.27 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethyl-3H-isoindol-1-yl)ethanol is sourced from PubChem (CID 86069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).