3-(1H-indol-2-yloxy)propane-1,2-diol

C11H13NO3 — CID 23048023

IUPAC3-(1H-indol-2-yloxy)propane-1,2-diol
SMILESOCC(O)COc1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO3/c13-6-9(14)7-15-11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2
InChIKeyLBXHPIZRBCSFFR-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.90
Rot. Bonds4

About 3-(1H-indol-2-yloxy)propane-1,2-diol

3-(1H-indol-2-yloxy)propane-1,2-diol (PubChem CID 23048023) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 3-(1H-indol-2-yloxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(1H-indol-2-yloxy)propane-1,2-diol
PubChem CID23048023
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name3-(1H-indol-2-yloxy)propane-1,2-diol
SMILESOCC(O)COc1cc2ccccc2[nH]1
InChIInChI=1S/C11H13NO3/c13-6-9(14)7-15-11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2
InChIKeyLBXHPIZRBCSFFR-UHFFFAOYSA-N
XLogP0.90
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-anthracen-9-yloxypropane-1,2-diol
CID 139994732
2-prop-2-ynoxy-1H-indole
CID 57088946
methyl 2-(1H-indol-2-yloxy)acetate
CID 67824553
(2S)-1-(1H-indol-2-yl)butan-2-ol;(2R)-3-(1H-indol-2-yl)propane-1,2-diol
CID 159659832
3-phenoxypropane-1,2-diol
CID 158587241
3-phenoxypropane-1,2-diol
CID 10857
actinium;3-phenoxypropane-1,2-diol
CID 22981458
3-[4-[4-(2,3-dihydroxypropoxy)-N-naphthalen-2-ylanilino]phenoxy]propane-1,2-diol
CID 59739429
1H-indol-2-yloxy(oxo)borane
CID 140520231
[(2R,3R,4R,5R)-2-bromooxy-1,5-dihydroxy-4-(1H-indol-2-yloxy)-6-oxohexan-3-yl] hypochlorite
CID 87496139
3-[(6-methyl-2-pyridinyl)oxy]propane-1,2-diol
CID 70641589
1-(1H-indol-2-yl)-2-methylpropan-1-ol
CID 91442586

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yloxy)propane-1,2-diol?
The IUPAC name of 3-(1H-indol-2-yloxy)propane-1,2-diol (CID 23048023) is 3-(1H-indol-2-yloxy)propane-1,2-diol.
What is the SMILES notation for 3-(1H-indol-2-yloxy)propane-1,2-diol?
The canonical SMILES for 3-(1H-indol-2-yloxy)propane-1,2-diol is OCC(O)COc1cc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-indol-2-yloxy)propane-1,2-diol?
The InChIKey is LBXHPIZRBCSFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-6-9(14)7-15-11-5-8-3-1-2-4-10(8)12-11/h1-5,9,12-14H,6-7H2.
What are the key properties of 3-(1H-indol-2-yloxy)propane-1,2-diol?
3-(1H-indol-2-yloxy)propane-1,2-diol has a molecular weight of 207.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yloxy)propane-1,2-diol is sourced from PubChem (CID 23048023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).