1-ethyl-3-(hydroxymethyl)indol-7-ol

C11H13NO2 — CID 117182594

IUPAC1-ethyl-3-(hydroxymethyl)indol-7-ol
SMILESCCn1cc(CO)c2cccc(O)c21
InChIInChI=1S/C11H13NO2/c1-2-12-6-8(7-13)9-4-3-5-10(14)11(9)12/h3-6,13-14H,2,7H2,1H3
InChIKeyUTCBTOKKJCOCSO-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.86
Rot. Bonds2

About 1-ethyl-3-(hydroxymethyl)indol-7-ol

1-ethyl-3-(hydroxymethyl)indol-7-ol (PubChem CID 117182594) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-ethyl-3-(hydroxymethyl)indol-7-ol.

Molecular Properties

Compound Name1-ethyl-3-(hydroxymethyl)indol-7-ol
PubChem CID117182594
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-ethyl-3-(hydroxymethyl)indol-7-ol
SMILESCCn1cc(CO)c2cccc(O)c21
InChIInChI=1S/C11H13NO2/c1-2-12-6-8(7-13)9-4-3-5-10(14)11(9)12/h3-6,13-14H,2,7H2,1H3
InChIKeyUTCBTOKKJCOCSO-UHFFFAOYSA-N
XLogP1.86
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(7-chloro-1-ethylindol-3-yl)methanol
CID 83522863
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
3-(1-ethyl-7-fluoroindol-3-yl)propan-1-ol
CID 83967143
1-(7-bromo-1-ethylindol-3-yl)propan-2-one
CID 117197654
2-(1-ethyl-7-hydroxyindol-3-yl)-2-methylpropanoic acid
CID 117197967
(1-ethyl-7-fluoroindol-3-yl)methanamine
CID 117182293
1-ethyl-3-(sulfanylmethyl)indole-7-carboxylic acid
CID 117182667
1-(7-chloro-1-ethylindol-3-yl)-2-methylpropan-2-ol
CID 117197676
3-(7-chloro-1-ethylindol-3-yl)propanoic acid
CID 117197744
2-(7-chloro-1-ethylindol-3-yl)acetaldehyde
CID 117197652

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(hydroxymethyl)indol-7-ol?
The IUPAC name of 1-ethyl-3-(hydroxymethyl)indol-7-ol (CID 117182594) is 1-ethyl-3-(hydroxymethyl)indol-7-ol.
What is the SMILES notation for 1-ethyl-3-(hydroxymethyl)indol-7-ol?
The canonical SMILES for 1-ethyl-3-(hydroxymethyl)indol-7-ol is CCn1cc(CO)c2cccc(O)c21.
What is the InChIKey of 1-ethyl-3-(hydroxymethyl)indol-7-ol?
The InChIKey is UTCBTOKKJCOCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-12-6-8(7-13)9-4-3-5-10(14)11(9)12/h3-6,13-14H,2,7H2,1H3.
What are the key properties of 1-ethyl-3-(hydroxymethyl)indol-7-ol?
1-ethyl-3-(hydroxymethyl)indol-7-ol has a molecular weight of 191.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(hydroxymethyl)indol-7-ol is sourced from PubChem (CID 117182594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).