ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate

C23H20N2O3 — CID 118142020

IUPACethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nc(Oc3ccccc3C)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-23(26)17-12-14-18(15-13-17)25-20-10-6-5-9-19(20)22(24-25)28-21-11-7-4-8-16(21)2/h4-15H,3H2,1-2H3
InChIKeyVGIXYTCJYPDISF-UHFFFAOYSA-N
MW372.42 g/mol
LogP5.30
Rot. Bonds5

About ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate

ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate (PubChem CID 118142020) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate
PubChem CID118142020
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Nameethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate
SMILESCCOC(=O)c1ccc(-n2nc(Oc3ccccc3C)c3ccccc32)cc1
InChIInChI=1S/C23H20N2O3/c1-3-27-23(26)17-12-14-18(15-13-17)25-20-10-6-5-9-19(20)22(24-25)28-21-11-7-4-8-16(21)2/h4-15H,3H2,1-2H3
InChIKeyVGIXYTCJYPDISF-UHFFFAOYSA-N
XLogP5.30
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 4-[3,5-dimethyl-4-(methylaminomethyl)pyrazol-1-yl]benzoate
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ethyl 4-(2-methyl-4-oxoquinazolin-3-yl)benzoate
CID 744635
ethyl 4-(5-amino-3-butylpyrazol-1-yl)benzoate
CID 143256280
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 4-([1,2,4]triazolo[4,3-a]quinoxalin-4-yloxy)benzoate
CID 53125790
ethyl 2-[3-(difluoromethyl)indazol-1-yl]pyrimidine-5-carboxylate
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ethyl 4-[3-(2-fluorobenzoyl)indol-1-yl]benzoate
CID 118142028

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate?
The IUPAC name of ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate (CID 118142020) is ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate?
The canonical SMILES for ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate is CCOC(=O)c1ccc(-n2nc(Oc3ccccc3C)c3ccccc32)cc1.
What is the InChIKey of ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate?
The InChIKey is VGIXYTCJYPDISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-3-27-23(26)17-12-14-18(15-13-17)25-20-10-6-5-9-19(20)22(24-25)28-21-11-7-4-8-16(21)2/h4-15H,3H2,1-2H3.
What are the key properties of ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate?
ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate has a molecular weight of 372.42 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(2-methylphenoxy)indazol-1-yl]benzoate is sourced from PubChem (CID 118142020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).