2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol

C11H13NO2 — CID 118042200

IUPAC2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(CO)cc12
InChIInChI=1S/C11H13NO2/c13-4-3-9-6-12-11-2-1-8(7-14)5-10(9)11/h1-2,5-6,12-14H,3-4,7H2
InChIKeyIPIXXXRVBSGBHO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds3

About 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol

2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol (PubChem CID 118042200) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
PubChem CID118042200
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol
SMILESOCCc1c[nH]c2ccc(CO)cc12
InChIInChI=1S/C11H13NO2/c13-4-3-9-6-12-11-2-1-8(7-14)5-10(9)11/h1-2,5-6,12-14H,3-4,7H2
InChIKeyIPIXXXRVBSGBHO-UHFFFAOYSA-N
XLogP1.20
TPSA56.25 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methanol
CID 10262849
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethylcarbamic acid
CID 70391610
2-(5-tert-butyl-1H-indol-3-yl)ethanol
CID 82277489
2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanol
CID 12030137
[3-[2-[[2-(hydroxymethyl)phenyl]methyl-methylamino]ethyl]-1H-indol-5-yl]methanol
CID 168731366
2-[5-[(5-methyltetrazol-1-yl)methyl]-1H-indol-3-yl]ethanol
CID 18977099
3-[5-(methylsulfonylmethyl)-1H-indol-3-yl]propan-1-ol
CID 19921664
[3-[2-[4-(1H-pyrrol-3-yl)piperazin-1-yl]ethyl]-1H-indol-5-yl]methanol
CID 141011218
4-[[3-(2-hydroxyethyl)-1H-indol-5-yl]methyl]-3-methyl-1,3-oxazolidin-2-one
CID 70273448
1-[3-(3-hydroxypropyl)-1H-indol-5-yl]-N-methylmethanesulfonamide
CID 10660550
2-[5-(2-phenylethyl)-1H-indol-3-yl]ethanamine
CID 22419950
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol?
The IUPAC name of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol (CID 118042200) is 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol.
What is the SMILES notation for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol?
The canonical SMILES for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol is OCCc1c[nH]c2ccc(CO)cc12.
What is the InChIKey of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol?
The InChIKey is IPIXXXRVBSGBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-4-3-9-6-12-11-2-1-8(7-14)5-10(9)11/h1-2,5-6,12-14H,3-4,7H2.
What are the key properties of 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol?
2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-1H-indol-3-yl]ethanol is sourced from PubChem (CID 118042200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).