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

C17H19NO — CID 72965520

IUPAC2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c19-13-17(10-14-6-2-1-3-7-14)18-11-15-8-4-5-9-16(15)12-18/h1-9,17,19H,10-13H2
InChIKeyDZMQMLCUFFAZJF-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.61
Rot. Bonds4

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

2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol (PubChem CID 72965520) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
PubChem CID72965520
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)N1Cc2ccccc2C1
InChIInChI=1S/C17H19NO/c19-13-17(10-14-6-2-1-3-7-14)18-11-15-8-4-5-9-16(15)12-18/h1-9,17,19H,10-13H2
InChIKeyDZMQMLCUFFAZJF-UHFFFAOYSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,3-dihydroisoindol-2-yl)butan-1-ol
CID 53397875
(2S)-2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-3-[3-[(2S)-2-(1,3-dihydrobenzo[de]isoquinolin-2-yl)-3-hydroxypropyl]phenyl]propan-1-ol
CID 12990036
(2S)-2-(3-methylazetidin-1-yl)-3-phenylpropan-1-ol
CID 107863697
(2R)-2-morpholin-4-yl-3-phenylpropan-1-ol
CID 107861547
(2S)-3-phenyl-2-(3-propan-2-ylazetidin-1-yl)propan-1-ol
CID 107863705
methyl 3-(1,3-dihydroisoindol-2-yl)-4-hydroxybutanoate
CID 105496232
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]azepane-2,7-dione
CID 107861522
4-(1-hydroxy-3-phenylpropan-2-yl)thiomorpholine-3,5-dione
CID 104570912
1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyrrolidin-2-one
CID 107861552
3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 114010352
3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]imidazolidine-2,4-dione
CID 107861540
(2R)-2-(2-methylpyrrol-1-yl)-3-phenylpropan-1-ol
CID 11435866

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol (CID 72965520) is 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol is OCC(Cc1ccccc1)N1Cc2ccccc2C1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol?
The InChIKey is DZMQMLCUFFAZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c19-13-17(10-14-6-2-1-3-7-14)18-11-15-8-4-5-9-16(15)12-18/h1-9,17,19H,10-13H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol?
2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 72965520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).