1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

C21H21NO2 — CID 19133022

IUPAC1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CN1CCc2ccccc21
InChIInChI=1S/C21H21NO2/c23-19(14-22-12-11-17-6-3-4-8-21(17)22)15-24-20-10-9-16-5-1-2-7-18(16)13-20/h1-10,13,19,23H,11-12,14-15H2
InChIKeyZXTPFJDCMPAZOG-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.64
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 19133022) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID19133022
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESOC(COc1ccc2ccccc2c1)CN1CCc2ccccc21
InChIInChI=1S/C21H21NO2/c23-19(14-22-12-11-17-6-3-4-8-21(17)22)15-24-20-10-9-16-5-1-2-7-18(16)13-20/h1-10,13,19,23H,11-12,14-15H2
InChIKeyZXTPFJDCMPAZOG-UHFFFAOYSA-N
XLogP3.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 3350158
1-(2,3-dihydroindol-1-yl)-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959492
1-(2,3-dihydroindol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 138959489
(2S)-1-(2,3-dihydroindol-1-yl)-3-[4-[4-[(2S)-3-(2,3-dihydroindol-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol
CID 100822983
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-5-[(E)-3-phenylprop-2-enyl]-2,3,6,7-tetrahydro-1,5-benzodiazonin-4-one
CID 134787018
1-(2,3-dihydroindol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 138959504
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(4-nitrophenoxy)propan-2-ol
CID 3763167
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
1-(2,3-dihydroindol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol;hydrochloride
CID 138959543

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 19133022) is 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is OC(COc1ccc2ccccc2c1)CN1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is ZXTPFJDCMPAZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-19(14-22-12-11-17-6-3-4-8-21(17)22)15-24-20-10-9-16-5-1-2-7-18(16)13-20/h1-10,13,19,23H,11-12,14-15H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 319.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 19133022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).