1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol

C11H15NO — CID 65042192

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
SMILESCCC(O)C1NCc2ccccc21
InChIInChI=1S/C11H15NO/c1-2-10(13)11-9-6-4-3-5-8(9)7-12-11/h3-6,10-13H,2,7H2,1H3
InChIKeyRGXVZAFZAUDBSS-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.60
Rot. Bonds2

About 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol

1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol (PubChem CID 65042192) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
PubChem CID65042192
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
SMILESCCC(O)C1NCc2ccccc21
InChIInChI=1S/C11H15NO/c1-2-10(13)11-9-6-4-3-5-8(9)7-12-11/h3-6,10-13H,2,7H2,1H3
InChIKeyRGXVZAFZAUDBSS-UHFFFAOYSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
1-(2,3-dihydro-1H-isoindol-1-yl)-4-methylsulfanylbutan-1-ol
CID 103089718
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
CID 65041588
1-(2-ethylbutyl)-2,3-dihydro-1H-isoindole
CID 82924962
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
CID 81319309
3-(2,3-dihydro-1H-isoindol-1-yl)pentan-3-ol
CID 65041986
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
CID 65041820
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 65041826
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-ol
CID 106676147

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol (CID 65042192) is 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol is CCC(O)C1NCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol?
The InChIKey is RGXVZAFZAUDBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-10(13)11-9-6-4-3-5-8(9)7-12-11/h3-6,10-13H,2,7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol?
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol is sourced from PubChem (CID 65042192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).