(4-iodo-1H-indol-6-yl) acetate

C10H8INO2 — CID 174498994

IUPAC(4-iodo-1H-indol-6-yl) acetate
SMILESCC(=O)Oc1cc(I)c2cc[nH]c2c1
InChIInChI=1S/C10H8INO2/c1-6(13)14-7-4-9(11)8-2-3-12-10(8)5-7/h2-5,12H,1H3
InChIKeyQCVVYGOZZARRAQ-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.70
Rot. Bonds1

About (4-iodo-1H-indol-6-yl) acetate

(4-iodo-1H-indol-6-yl) acetate (PubChem CID 174498994) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is (4-iodo-1H-indol-6-yl) acetate.

Molecular Properties

Compound Name(4-iodo-1H-indol-6-yl) acetate
PubChem CID174498994
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name(4-iodo-1H-indol-6-yl) acetate
SMILESCC(=O)Oc1cc(I)c2cc[nH]c2c1
InChIInChI=1S/C10H8INO2/c1-6(13)14-7-4-9(11)8-2-3-12-10(8)5-7/h2-5,12H,1H3
InChIKeyQCVVYGOZZARRAQ-UHFFFAOYSA-N
XLogP2.70
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-iodo-1H-indol-6-yl) acetate?
The IUPAC name of (4-iodo-1H-indol-6-yl) acetate (CID 174498994) is (4-iodo-1H-indol-6-yl) acetate.
What is the SMILES notation for (4-iodo-1H-indol-6-yl) acetate?
The canonical SMILES for (4-iodo-1H-indol-6-yl) acetate is CC(=O)Oc1cc(I)c2cc[nH]c2c1.
What is the InChIKey of (4-iodo-1H-indol-6-yl) acetate?
The InChIKey is QCVVYGOZZARRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c1-6(13)14-7-4-9(11)8-2-3-12-10(8)5-7/h2-5,12H,1H3.
What are the key properties of (4-iodo-1H-indol-6-yl) acetate?
(4-iodo-1H-indol-6-yl) acetate has a molecular weight of 301.08 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-iodo-1H-indol-6-yl) acetate is sourced from PubChem (CID 174498994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).