2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol

C10H13NO — CID 129390481

IUPAC2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
SMILESOCC[C@H]1NCc2ccccc21
InChIInChI=1S/C10H13NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKeyQRODAZJXMKMZER-SNVBAGLBSA-N
MW163.22 g/mol
LogP1.21
Rot. Bonds2

About 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol

2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol (PubChem CID 129390481) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
PubChem CID129390481
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol
SMILESOCC[C@H]1NCc2ccccc21
InChIInChI=1S/C10H13NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1
InChIKeyQRODAZJXMKMZER-SNVBAGLBSA-N
XLogP1.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-isoindol-1-yl)ethanamine
CID 86111569
1-(2-ethylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731755
1-[2-(azepan-1-yl)ethyl]-2,3-dihydro-1H-isoindole
CID 115105193
1-(2-propoxyethyl)-2,3-dihydro-1H-isoindole
CID 106458136
1-[2-(trifluoromethylsulfanyl)ethyl]-2,3-dihydro-1H-isoindole
CID 116627042
2-(2,3-dihydro-1H-isoindol-1-yl)acetaldehyde
CID 89299506
1-hept-6-enyl-2,3-dihydro-1H-isoindole
CID 107010280
1-(2-propan-2-ylsulfonylethyl)-2,3-dihydro-1H-isoindole
CID 106731753
1-chloro-3-(2,3-dihydro-1H-isoindol-1-yl)propan-2-ol
CID 130515953
1-[2-(4-methoxyphenyl)ethyl]-2,3-dihydro-1H-isoindole
CID 65447093
1-(3-piperazin-1-ylpropyl)-2,3-dihydro-1H-isoindole
CID 115105241
methyl 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]acetate
CID 86336587

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol (CID 129390481) is 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol is OCC[C@H]1NCc2ccccc21.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol?
The InChIKey is QRODAZJXMKMZER-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13NO/c12-6-5-10-9-4-2-1-3-8(9)7-11-10/h1-4,10-12H,5-7H2/t10-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol?
2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol has a molecular weight of 163.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-isoindol-1-yl]ethanol is sourced from PubChem (CID 129390481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).