3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol

C13H17NO2 — CID 102912449

IUPAC3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H17NO2/c1-10(8-15)7-14-5-4-12-6-11(9-16)2-3-13(12)14/h2-6,10,15-16H,7-9H2,1H3
InChIKeyQWMFBTOLLOVHKF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.76
Rot. Bonds4

About 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol

3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol (PubChem CID 102912449) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
PubChem CID102912449
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol
SMILESCC(CO)Cn1ccc2cc(CO)ccc21
InChIInChI=1S/C13H17NO2/c1-10(8-15)7-14-5-4-12-6-11(9-16)2-3-13(12)14/h2-6,10,15-16H,7-9H2,1H3
InChIKeyQWMFBTOLLOVHKF-UHFFFAOYSA-N
XLogP1.76
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[5-[(propan-2-ylamino)methyl]indol-1-yl]propan-1-ol
CID 102916132
2-methyl-3-[5-[(2-methylpropylamino)methyl]indol-1-yl]propan-1-ol
CID 102916325
(2S)-3-indol-1-yl-2-methylpropan-1-ol
CID 139469635
[1-(2-methylpropyl)indol-6-yl]methanol
CID 102913005
(1-butylindol-5-yl)methanol
CID 102912394
[1-[(4-ethylphenyl)methyl]indol-5-yl]methanol
CID 102912425
[1-[(E)-but-2-enyl]indol-5-yl]methanol
CID 102912660
[1-[2-(dimethylamino)ethyl]indol-5-yl]methanol
CID 102912856
2-[5-(hydroxymethyl)indol-1-yl]-N,N-dimethylacetamide
CID 102912783
2-[1-(2-methylpropyl)indol-5-yl]acetic acid
CID 115106854
3-[5-(ethylaminomethyl)indol-1-yl]propane-1,2-diol
CID 102915922
[1-[(3-propan-2-ylimidazol-4-yl)methyl]indol-5-yl]methanol
CID 102912836

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol?
The IUPAC name of 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol (CID 102912449) is 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol is CC(CO)Cn1ccc2cc(CO)ccc21.
What is the InChIKey of 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol?
The InChIKey is QWMFBTOLLOVHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(8-15)7-14-5-4-12-6-11(9-16)2-3-13(12)14/h2-6,10,15-16H,7-9H2,1H3.
What are the key properties of 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol?
3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol has a molecular weight of 219.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)indol-1-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 102912449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).