(7-hydroxy-1H-indol-3-yl) acetate

C10H9NO3 — CID 174769311

IUPAC(7-hydroxy-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(O)cccc12
InChIInChI=1S/C10H9NO3/c1-6(12)14-9-5-11-10-7(9)3-2-4-8(10)13/h2-5,11,13H,1H3
InChIKeyLODLPHHAAIKBMA-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.80
Rot. Bonds1

About (7-hydroxy-1H-indol-3-yl) acetate

(7-hydroxy-1H-indol-3-yl) acetate (PubChem CID 174769311) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is (7-hydroxy-1H-indol-3-yl) acetate.

Molecular Properties

Compound Name(7-hydroxy-1H-indol-3-yl) acetate
PubChem CID174769311
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name(7-hydroxy-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c[nH]c2c(O)cccc12
InChIInChI=1S/C10H9NO3/c1-6(12)14-9-5-11-10-7(9)3-2-4-8(10)13/h2-5,11,13H,1H3
InChIKeyLODLPHHAAIKBMA-UHFFFAOYSA-N
XLogP1.80
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(6,7-diiodo-1H-indol-3-yl) acetate
CID 150928331
(2,6-dihydroxyphenyl) acetate
CID 19910305
(7-bromo-1H-indol-3-yl) carbamate
CID 175391103
[3-(2-acetamidoethyl)-1H-indol-7-yl] acetate
CID 169222521
(2-acetyl-6-hydroxyphenyl) acetate
CID 586390
triphenylen-1-yl acetate
CID 87276472
bis(7-carbamoyl-1H-indol-3-yl) 2,3-dihydroxybutanedioate
CID 67634758
[7-(4-acetyloxy-1H-indol-7-yl)-1H-indol-4-yl] acetate
CID 14531809
[3-[2-[ethyl(propyl)amino]ethyl]-1H-indol-7-yl] acetate
CID 156836278
(2,4-dioxo-1H-3,1-benzoxazin-8-yl) acetate
CID 10775330
(5-acetyloxy-1-methylnaphthalen-2-yl) acetate
CID 68947092
[3-hydroxy-2-(trifluoromethyl)phenyl] acetate
CID 164772519

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-1H-indol-3-yl) acetate?
The IUPAC name of (7-hydroxy-1H-indol-3-yl) acetate (CID 174769311) is (7-hydroxy-1H-indol-3-yl) acetate.
What is the SMILES notation for (7-hydroxy-1H-indol-3-yl) acetate?
The canonical SMILES for (7-hydroxy-1H-indol-3-yl) acetate is CC(=O)Oc1c[nH]c2c(O)cccc12.
What is the InChIKey of (7-hydroxy-1H-indol-3-yl) acetate?
The InChIKey is LODLPHHAAIKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-6(12)14-9-5-11-10-7(9)3-2-4-8(10)13/h2-5,11,13H,1H3.
What are the key properties of (7-hydroxy-1H-indol-3-yl) acetate?
(7-hydroxy-1H-indol-3-yl) acetate has a molecular weight of 191.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-1H-indol-3-yl) acetate is sourced from PubChem (CID 174769311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).