3-(hydroxymethyl)-1-propan-2-ylindol-7-ol

C12H15NO2 — CID 117182602

IUPAC3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
SMILESCC(C)n1cc(CO)c2cccc(O)c21
InChIInChI=1S/C12H15NO2/c1-8(2)13-6-9(7-14)10-4-3-5-11(15)12(10)13/h3-6,8,14-15H,7H2,1-2H3
InChIKeyJHWGZDYZTRPULT-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.42
Rot. Bonds2

About 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol

3-(hydroxymethyl)-1-propan-2-ylindol-7-ol (PubChem CID 117182602) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol.

Molecular Properties

Compound Name3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
PubChem CID117182602
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
SMILESCC(C)n1cc(CO)c2cccc(O)c21
InChIInChI=1S/C12H15NO2/c1-8(2)13-6-9(7-14)10-4-3-5-11(15)12(10)13/h3-6,8,14-15H,7H2,1-2H3
InChIKeyJHWGZDYZTRPULT-UHFFFAOYSA-N
XLogP2.42
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927
1-ethyl-3-(hydroxymethyl)indol-7-ol
CID 117182594
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
3-[1-(methylamino)ethyl]-1-propan-2-ylindol-7-ol
CID 117197935
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
2-(3-methyl-1-propan-2-ylindol-7-yl)ethanol
CID 117205237
3-(methoxymethyl)-7-methyl-1-propan-2-ylindole
CID 117186336
1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83945413
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol?
The IUPAC name of 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol (CID 117182602) is 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol.
What is the SMILES notation for 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol?
The canonical SMILES for 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol is CC(C)n1cc(CO)c2cccc(O)c21.
What is the InChIKey of 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol?
The InChIKey is JHWGZDYZTRPULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8(2)13-6-9(7-14)10-4-3-5-11(15)12(10)13/h3-6,8,14-15H,7H2,1-2H3.
What are the key properties of 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol?
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol has a molecular weight of 205.26 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-1-propan-2-ylindol-7-ol is sourced from PubChem (CID 117182602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).