(4-bromo-1H-indol-2-yl) ethyl carbonate

C11H10BrNO3 — CID 129158532

IUPAC(4-bromo-1H-indol-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-2-15-11(14)16-10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyKECYOBTUHNVIHF-UHFFFAOYSA-N
MW284.11 g/mol
LogP3.47
Rot. Bonds2

About (4-bromo-1H-indol-2-yl) ethyl carbonate

(4-bromo-1H-indol-2-yl) ethyl carbonate (PubChem CID 129158532) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is (4-bromo-1H-indol-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(4-bromo-1H-indol-2-yl) ethyl carbonate
PubChem CID129158532
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name(4-bromo-1H-indol-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1cc2c(Br)cccc2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-2-15-11(14)16-10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3
InChIKeyKECYOBTUHNVIHF-UHFFFAOYSA-N
XLogP3.47
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N,N-dimethyl-1H-indole-2-carboxamide
CID 66897930
ethyl 4-bromo-3-hydroxy-1H-indole-2-carboxylate
CID 54708469
(4,5-dibromofuran-2-yl) ethyl carbonate
CID 67425918
1-bromonaphthalene;ethyl acetate
CID 174701455
(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
CID 22362544
diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
ethyl 5-bromo-3-ethylquinoline-2-carboxylate
CID 176885613
ethyl 8-bromo-4,9-dioxo-1H-cyclohepta[b]pyridine-3-carboxylate
CID 13121315
ethyl 3-amino-2-(2-bromophenoxy)benzoate
CID 115935679
4-bromo-2-(bromomethyl)-1H-indole
CID 133062048
ethyl 5-methyl-1-oxo-2H-isoquinoline-3-carboxylate
CID 165441491
[4-[2-(cyclopropylamino)acetyl]-7-hydroxy-1H-indol-2-yl] ethyl carbonate;hydrochloride
CID 70474237

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1H-indol-2-yl) ethyl carbonate?
The IUPAC name of (4-bromo-1H-indol-2-yl) ethyl carbonate (CID 129158532) is (4-bromo-1H-indol-2-yl) ethyl carbonate.
What is the SMILES notation for (4-bromo-1H-indol-2-yl) ethyl carbonate?
The canonical SMILES for (4-bromo-1H-indol-2-yl) ethyl carbonate is CCOC(=O)Oc1cc2c(Br)cccc2[nH]1.
What is the InChIKey of (4-bromo-1H-indol-2-yl) ethyl carbonate?
The InChIKey is KECYOBTUHNVIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-2-15-11(14)16-10-6-7-8(12)4-3-5-9(7)13-10/h3-6,13H,2H2,1H3.
What are the key properties of (4-bromo-1H-indol-2-yl) ethyl carbonate?
(4-bromo-1H-indol-2-yl) ethyl carbonate has a molecular weight of 284.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1H-indol-2-yl) ethyl carbonate is sourced from PubChem (CID 129158532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).