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

C15H23NO3 — CID 106991981

IUPAC1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C15H23NO3/c1-12(10-18-2)19-11-15(17)9-16-7-13-5-3-4-6-14(13)8-16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyDRKVDXACLKOYHA-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.41
Rot. Bonds7

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

1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106991981) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106991981
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)CN1Cc2ccccc2C1
InChIInChI=1S/C15H23NO3/c1-12(10-18-2)19-11-15(17)9-16-7-13-5-3-4-6-14(13)8-16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyDRKVDXACLKOYHA-UHFFFAOYSA-N
XLogP1.41
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methoxypropan-2-yloxy)-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propan-2-ol
CID 106992102
1-(3,4-dihydro-2H-quinolin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991698
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 114042479
1-indazol-1-yl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989379
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-3,4-dihydro-2H-quinolin-4-ol
CID 106993181
1-(1-methoxypropan-2-yloxy)-3-[4-(1-thiophen-3-ylethyl)piperazin-1-yl]propan-2-ol
CID 119036046
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
2-[4-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperazin-1-yl]propanenitrile
CID 106990694
1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]-4-methylazepan-4-ol
CID 107407198
1-(3-amino-4-methylpiperidin-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106992591
2-(2,2-dimethoxyethyl)-1,3-dihydroisoindole
CID 66223848
2-[1-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propyl]piperidin-4-yl]acetic acid
CID 106991498

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106991981) is 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)CN1Cc2ccccc2C1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is DRKVDXACLKOYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-12(10-18-2)19-11-15(17)9-16-7-13-5-3-4-6-14(13)8-16/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 265.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106991981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).