2-[7-(hydroxymethyl)indol-1-yl]ethanol

C11H13NO2 — CID 102912014

IUPAC2-[7-(hydroxymethyl)indol-1-yl]ethanol
SMILESOCCn1ccc2cccc(CO)c21
InChIInChI=1S/C11H13NO2/c13-7-6-12-5-4-9-2-1-3-10(8-14)11(9)12/h1-5,13-14H,6-8H2
InChIKeyDSBUXBVGGIDTMR-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.13
Rot. Bonds3

About 2-[7-(hydroxymethyl)indol-1-yl]ethanol

2-[7-(hydroxymethyl)indol-1-yl]ethanol (PubChem CID 102912014) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[7-(hydroxymethyl)indol-1-yl]ethanol.

Molecular Properties

Compound Name2-[7-(hydroxymethyl)indol-1-yl]ethanol
PubChem CID102912014
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-[7-(hydroxymethyl)indol-1-yl]ethanol
SMILESOCCn1ccc2cccc(CO)c21
InChIInChI=1S/C11H13NO2/c13-7-6-12-5-4-9-2-1-3-10(8-14)11(9)12/h1-5,13-14H,6-8H2
InChIKeyDSBUXBVGGIDTMR-UHFFFAOYSA-N
XLogP1.13
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
(1-pent-4-enylindol-7-yl)methanol
CID 102912127
[1-(3-phenylpropyl)indol-7-yl]methanol
CID 102911939
(1-hept-6-enylindol-7-yl)methanol
CID 107008139
(1-prop-2-ynylindol-7-yl)methanol
CID 102912084
[1-[2-(2,2,2-trifluoroethoxy)ethyl]indol-7-yl]methanol
CID 102911952
[1-(2-methoxypropyl)indol-7-yl]methanol
CID 102912071
methyl 2-[7-(hydroxymethyl)indol-1-yl]acetate
CID 102912191
[1-(pyridin-2-ylmethyl)indol-7-yl]methanol
CID 102911903
2-[7-(trifluoromethoxy)indol-1-yl]ethanol
CID 67255181
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
CID 102913749
5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086

Frequently Asked Questions

What is the IUPAC name of 2-[7-(hydroxymethyl)indol-1-yl]ethanol?
The IUPAC name of 2-[7-(hydroxymethyl)indol-1-yl]ethanol (CID 102912014) is 2-[7-(hydroxymethyl)indol-1-yl]ethanol.
What is the SMILES notation for 2-[7-(hydroxymethyl)indol-1-yl]ethanol?
The canonical SMILES for 2-[7-(hydroxymethyl)indol-1-yl]ethanol is OCCn1ccc2cccc(CO)c21.
What is the InChIKey of 2-[7-(hydroxymethyl)indol-1-yl]ethanol?
The InChIKey is DSBUXBVGGIDTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-7-6-12-5-4-9-2-1-3-10(8-14)11(9)12/h1-5,13-14H,6-8H2.
What are the key properties of 2-[7-(hydroxymethyl)indol-1-yl]ethanol?
2-[7-(hydroxymethyl)indol-1-yl]ethanol has a molecular weight of 191.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(hydroxymethyl)indol-1-yl]ethanol is sourced from PubChem (CID 102912014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).