2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole

C30H31ClN2O2 — CID 141373075

IUPAC2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole
SMILESClc1ccc(-n2nc3ccccc3c2C(COc2ccc(OC3CC3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C30H31ClN2O2/c31-22-10-12-23(13-11-22)33-30(27-8-4-5-9-29(27)32-33)28(21-6-2-1-3-7-21)20-34-24-14-16-25(17-15-24)35-26-18-19-26/h4-5,8-17,21,26,28H,1-3,6-7,18-20H2
InChIKeyLHHFTKUKOISHFO-UHFFFAOYSA-N
MW487.04 g/mol
LogP7.96
Rot. Bonds8

About 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole

2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole (PubChem CID 141373075) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole
PubChem CID141373075
Molecular FormulaC30H31ClN2O2
Molecular Weight487.04 g/mol
Exact Mass486.21
IUPAC Name2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole
SMILESClc1ccc(-n2nc3ccccc3c2C(COc2ccc(OC3CC3)cc2)C2CCCCC2)cc1
InChIInChI=1S/C30H31ClN2O2/c31-22-10-12-23(13-11-22)33-30(27-8-4-5-9-29(27)32-33)28(21-6-2-1-3-7-21)20-34-24-14-16-25(17-15-24)35-26-18-19-26/h4-5,8-17,21,26,28H,1-3,6-7,18-20H2
InChIKeyLHHFTKUKOISHFO-UHFFFAOYSA-N
XLogP7.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.04
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole?
The IUPAC name of 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole (CID 141373075) is 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole?
The canonical SMILES for 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole is Clc1ccc(-n2nc3ccccc3c2C(COc2ccc(OC3CC3)cc2)C2CCCCC2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole?
The InChIKey is LHHFTKUKOISHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c31-22-10-12-23(13-11-22)33-30(27-8-4-5-9-29(27)32-33)28(21-6-2-1-3-7-21)20-34-24-14-16-25(17-15-24)35-26-18-19-26/h4-5,8-17,21,26,28H,1-3,6-7,18-20H2.
What are the key properties of 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole?
2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole has a molecular weight of 487.04 g/mol, XLogP of 7.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[1-cyclohexyl-2-(4-cyclopropyloxyphenoxy)ethyl]indazole is sourced from PubChem (CID 141373075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).