2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol

C12H15NO2 — CID 12666442

IUPAC2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
SMILESCn1c(CCO)c(CO)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-11-5-3-2-4-9(11)10(8-15)12(13)6-7-14/h2-5,14-15H,6-8H2,1H3
InChIKeyBZRUMHINTVXPFT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.21
Rot. Bonds3

About 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol

2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol (PubChem CID 12666442) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol.

Molecular Properties

Compound Name2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
PubChem CID12666442
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol
SMILESCn1c(CCO)c(CO)c2ccccc21
InChIInChI=1S/C12H15NO2/c1-13-11-5-3-2-4-9(11)10(8-15)12(13)6-7-14/h2-5,14-15H,6-8H2,1H3
InChIKeyBZRUMHINTVXPFT-UHFFFAOYSA-N
XLogP1.21
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[1-methyl-2-(2-phenylethyl)indol-3-yl]methanol
CID 174540584
2-(2-ethyl-1-methylindol-3-yl)-N,N-dimethylethanamine
CID 45095754
(2-chloro-1-ethylindol-3-yl)methanol
CID 82268356
(2-methyl-1-propylindol-3-yl)methanol
CID 91556176
[1-methyl-2-(2-thiophen-2-ylethyl)indol-3-yl]methanamine
CID 22689319
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
ethane;bis(9-methylcarbazole)
CID 159710949
4-(1,3-dimethylindol-2-yl)butan-2-one
CID 14147978
[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]methanol
CID 170871680
ethane;9-methylcarbazole;triphenylene
CID 142356751
2-ethyl-1-methyl-3-[3-(4-methylpiperazin-1-yl)propyl]indole
CID 170864109
2-[(1,3-dimethylindol-2-yl)methylamino]propane-1,3-diol
CID 107235824

Frequently Asked Questions

What is the IUPAC name of 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol?
The IUPAC name of 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol (CID 12666442) is 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol.
What is the SMILES notation for 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol?
The canonical SMILES for 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol is Cn1c(CCO)c(CO)c2ccccc21.
What is the InChIKey of 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol?
The InChIKey is BZRUMHINTVXPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-11-5-3-2-4-9(11)10(8-15)12(13)6-7-14/h2-5,14-15H,6-8H2,1H3.
What are the key properties of 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol?
2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol has a molecular weight of 205.26 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(hydroxymethyl)-1-methylindol-2-yl]ethanol is sourced from PubChem (CID 12666442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).