2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol

C11H15NO — CID 131133727

IUPAC2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
SMILESCc1ccc2c(c1)CN(CCO)C2
InChIInChI=1S/C11H15NO/c1-9-2-3-10-7-12(4-5-13)8-11(10)6-9/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyNPJRKFWPSKNOQB-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.30
Rot. Bonds2

About 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol

2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol (PubChem CID 131133727) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
PubChem CID131133727
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
SMILESCc1ccc2c(c1)CN(CCO)C2
InChIInChI=1S/C11H15NO/c1-9-2-3-10-7-12(4-5-13)8-11(10)6-9/h2-3,6,13H,4-5,7-8H2,1H3
InChIKeyNPJRKFWPSKNOQB-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol?
The IUPAC name of 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol (CID 131133727) is 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol.
What is the SMILES notation for 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol?
The canonical SMILES for 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol is Cc1ccc2c(c1)CN(CCO)C2.
What is the InChIKey of 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol?
The InChIKey is NPJRKFWPSKNOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9-2-3-10-7-12(4-5-13)8-11(10)6-9/h2-3,6,13H,4-5,7-8H2,1H3.
What are the key properties of 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol?
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol has a molecular weight of 177.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol is sourced from PubChem (CID 131133727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).