1-(1,3-dihydroisoindol-2-yl)propan-1-ol

C11H15NO — CID 145041620

IUPAC1-(1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESCCC(O)N1Cc2ccccc2C1
InChIInChI=1S/C11H15NO/c1-2-11(13)12-7-9-5-3-4-6-10(9)8-12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyUTSJIWFKEAPIOJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.73
Rot. Bonds2

About 1-(1,3-dihydroisoindol-2-yl)propan-1-ol

1-(1,3-dihydroisoindol-2-yl)propan-1-ol (PubChem CID 145041620) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)propan-1-ol
PubChem CID145041620
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(1,3-dihydroisoindol-2-yl)propan-1-ol
SMILESCCC(O)N1Cc2ccccc2C1
InChIInChI=1S/C11H15NO/c1-2-11(13)12-7-9-5-3-4-6-10(9)8-12/h3-6,11,13H,2,7-8H2,1H3
InChIKeyUTSJIWFKEAPIOJ-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)butanoic acid
CID 60727432
2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875
1-(4-phenylpiperazin-1-yl)propan-1-ol
CID 57202840
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355
2-(1,3-dihydroisoindol-2-yl)-N-methyl-1-phenylbutan-1-amine
CID 62205018
ethyl 2-(1,3-dihydroisoindol-2-yl)propanoate
CID 62206095
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
CID 72965520
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanethioamide
CID 63153096
2-(1,3-dihydroisoindol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62437644
2-(1,3-dihydroisoindol-2-yl)pentanedioic acid
CID 4887676
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)propan-1-ol (CID 145041620) is 1-(1,3-dihydroisoindol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)propan-1-ol is CCC(O)N1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)propan-1-ol?
The InChIKey is UTSJIWFKEAPIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-11(13)12-7-9-5-3-4-6-10(9)8-12/h3-6,11,13H,2,7-8H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)propan-1-ol?
1-(1,3-dihydroisoindol-2-yl)propan-1-ol has a molecular weight of 177.25 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 1-(1,3-dihydroisoindol-2-yl)propan-1-ol is sourced from PubChem (CID 145041620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).