(3,5-dichloro-1H-indol-2-yl) ethyl carbonate

C11H9Cl2NO3 — CID 22362544

IUPAC(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C11H9Cl2NO3/c1-2-16-11(15)17-10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChIKeyJRUZCZKPPWTVLB-UHFFFAOYSA-N
MW274.10 g/mol
LogP4.01
Rot. Bonds2

About (3,5-dichloro-1H-indol-2-yl) ethyl carbonate

(3,5-dichloro-1H-indol-2-yl) ethyl carbonate (PubChem CID 22362544) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is (3,5-dichloro-1H-indol-2-yl) ethyl carbonate.

Molecular Properties

Compound Name(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
PubChem CID22362544
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name(3,5-dichloro-1H-indol-2-yl) ethyl carbonate
SMILESCCOC(=O)Oc1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C11H9Cl2NO3/c1-2-16-11(15)17-10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3
InChIKeyJRUZCZKPPWTVLB-UHFFFAOYSA-N
XLogP4.01
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichloro-1H-indol-2-yl) ethyl carbonate?
The IUPAC name of (3,5-dichloro-1H-indol-2-yl) ethyl carbonate (CID 22362544) is (3,5-dichloro-1H-indol-2-yl) ethyl carbonate.
What is the SMILES notation for (3,5-dichloro-1H-indol-2-yl) ethyl carbonate?
The canonical SMILES for (3,5-dichloro-1H-indol-2-yl) ethyl carbonate is CCOC(=O)Oc1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of (3,5-dichloro-1H-indol-2-yl) ethyl carbonate?
The InChIKey is JRUZCZKPPWTVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c1-2-16-11(15)17-10-9(13)7-5-6(12)3-4-8(7)14-10/h3-5,14H,2H2,1H3.
What are the key properties of (3,5-dichloro-1H-indol-2-yl) ethyl carbonate?
(3,5-dichloro-1H-indol-2-yl) ethyl carbonate has a molecular weight of 274.10 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichloro-1H-indol-2-yl) ethyl carbonate is sourced from PubChem (CID 22362544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).