4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid

C20H18Cl2N2O3 — CID 134137870

IUPAC4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1
InChIInChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)
InChIKeyWKFBIVYONKPANM-UHFFFAOYSA-N
MW405.28 g/mol
LogP5.95
Rot. Bonds4

About 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid

4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 134137870) has the molecular formula C20H18Cl2N2O3 and a molecular weight of 405.28 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID134137870
Molecular FormulaC20H18Cl2N2O3
Molecular Weight405.28 g/mol
Exact Mass404.07
IUPAC Name4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1
InChIInChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26)
InChIKeyWKFBIVYONKPANM-UHFFFAOYSA-N
XLogP5.95
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.28
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid (CID 134137870) is 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(n2nc(Oc3c(Cl)cccc3Cl)c3ccccc32)CC1.
What is the InChIKey of 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is WKFBIVYONKPANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O3/c21-15-5-3-6-16(22)18(15)27-19-14-4-1-2-7-17(14)24(23-19)13-10-8-12(9-11-13)20(25)26/h1-7,12-13H,8-11H2,(H,25,26).
What are the key properties of 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid?
4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 405.28 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorophenoxy)indazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 134137870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).