[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate

C17H14Cl2N2O3 — CID 68614330

IUPAC[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate
SMILESCCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1OC(=O)OC
InChIInChI=1S/C17H14Cl2N2O3/c1-3-21-16(24-17(22)23-2)13-6-4-5-12(15(13)20-21)11-8-7-10(18)9-14(11)19/h4-9H,3H2,1-2H3
InChIKeyOQGPOUPECPZBLC-UHFFFAOYSA-N
MW365.22 g/mol
LogP5.18
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate

[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate (PubChem CID 68614330) has the molecular formula C17H14Cl2N2O3 and a molecular weight of 365.22 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate
PubChem CID68614330
Molecular FormulaC17H14Cl2N2O3
Molecular Weight365.22 g/mol
Exact Mass364.04
IUPAC Name[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate
SMILESCCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1OC(=O)OC
InChIInChI=1S/C17H14Cl2N2O3/c1-3-21-16(24-17(22)23-2)13-6-4-5-12(15(13)20-21)11-8-7-10(18)9-14(11)19/h4-9H,3H2,1-2H3
InChIKeyOQGPOUPECPZBLC-UHFFFAOYSA-N
XLogP5.18
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.22
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate?
The IUPAC name of [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate (CID 68614330) is [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate?
The canonical SMILES for [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate is CCn1nc2c(-c3ccc(Cl)cc3Cl)cccc2c1OC(=O)OC.
What is the InChIKey of [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate?
The InChIKey is OQGPOUPECPZBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O3/c1-3-21-16(24-17(22)23-2)13-6-4-5-12(15(13)20-21)11-8-7-10(18)9-14(11)19/h4-9H,3H2,1-2H3.
What are the key properties of [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate?
[7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate has a molecular weight of 365.22 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-2-ethylindazol-3-yl] methyl carbonate is sourced from PubChem (CID 68614330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).