3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol

C12H17NO2 — CID 117200353

IUPAC3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCC(O)CC1CN(C)c2cccc(O)c21
InChIInChI=1S/C12H17NO2/c1-8(14)6-9-7-13(2)10-4-3-5-11(15)12(9)10/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyHNGHGFBJDZNXBT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.70
Rot. Bonds2

About 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol

3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol (PubChem CID 117200353) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol.

Molecular Properties

Compound Name3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
PubChem CID117200353
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol
SMILESCC(O)CC1CN(C)c2cccc(O)c21
InChIInChI=1S/C12H17NO2/c1-8(14)6-9-7-13(2)10-4-3-5-11(15)12(9)10/h3-5,8-9,14-15H,6-7H2,1-2H3
InChIKeyHNGHGFBJDZNXBT-UHFFFAOYSA-N
XLogP1.70
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
3-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200014
1-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-2,3-dihydroindol-4-ol
CID 169244496
3-(4-hydroxy-1-propan-2-yl-2,3-dihydroindol-3-yl)-2-methylpropanoic acid
CID 117200542
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
N-methyl-1-[1-methyl-4-(trifluoromethyl)-2,3-dihydroindol-3-yl]propan-2-amine
CID 117199339
1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 117199896
3-(aminooxymethyl)-1-ethyl-2,3-dihydroindol-4-ol
CID 117200474
3-[(1-methylpyrrolidin-2-yl)methyl]-1-propan-2-yl-2,3-dihydroindol-4-ol
CID 169244381
1-(4-bromo-1-methyl-2,3-dihydroindol-3-yl)-N-methylmethanamine
CID 117199958
1-(1-methyl-2,3-dihydroindol-3-yl)propan-2-one
CID 115106363

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol?
The IUPAC name of 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol (CID 117200353) is 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol.
What is the SMILES notation for 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol?
The canonical SMILES for 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol is CC(O)CC1CN(C)c2cccc(O)c21.
What is the InChIKey of 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol?
The InChIKey is HNGHGFBJDZNXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-8(14)6-9-7-13(2)10-4-3-5-11(15)12(9)10/h3-5,8-9,14-15H,6-7H2,1-2H3.
What are the key properties of 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol?
3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol has a molecular weight of 207.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxypropyl)-1-methyl-2,3-dihydroindol-4-ol is sourced from PubChem (CID 117200353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).