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

C17H19NO — CID 65041588

IUPAC1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)C1NCc2ccccc21
InChIInChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17(19)16-15-10-6-5-9-14(15)11-18-16/h2-10,12,16-19H,11H2,1H3
InChIKeyFPNAJWTYFAVPSG-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.00
Rot. Bonds3

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

1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol (PubChem CID 65041588) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
PubChem CID65041588
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol
SMILESCC(c1ccccc1)C(O)C1NCc2ccccc21
InChIInChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17(19)16-15-10-6-5-9-14(15)11-18-16/h2-10,12,16-19H,11H2,1H3
InChIKeyFPNAJWTYFAVPSG-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
1-(2,3-dihydro-1H-isoindol-1-yl)-4-methylsulfanylbutan-1-ol
CID 103089718
(3-chloro-4-methoxyphenyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 65041826
2,3-dihydro-1H-isoindol-1-yl-(5-methyl-2-pyridinyl)methanol
CID 81319309
1-(2,3-dihydro-1H-isoindol-1-yl)-2-methylpropan-1-one
CID 166510836
2,3-dihydro-1H-isoindol-1-yl-(4-fluoro-2-methylphenyl)methanol
CID 65041820
2,3-dihydro-1H-isoindol-1-yl(quinolin-6-yl)methanol
CID 65041727
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(5-bromo-2-pyridinyl)-(2,3-dihydro-1H-isoindol-1-yl)methanol
CID 113393961
(1R)-2-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-1-(4-methylphenyl)ethanol
CID 16681083
2,3-dihydro-1H-isoindol-1-yl(isoquinolin-4-yl)methanol
CID 104504591

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol (CID 65041588) is 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol is CC(c1ccccc1)C(O)C1NCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol?
The InChIKey is FPNAJWTYFAVPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-12(13-7-3-2-4-8-13)17(19)16-15-10-6-5-9-14(15)11-18-16/h2-10,12,16-19H,11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol?
1-(2,3-dihydro-1H-isoindol-1-yl)-2-phenylpropan-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.00, 3 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)-2-phenylpropan-1-ol is sourced from PubChem (CID 65041588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).