methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

C20H22N2O4 — CID 86690440

IUPACmethyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(O)ccc2OCC(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-13(2)12-26-19-7-5-17(23)9-16(19)11-22-18-6-4-14(20(24)25-3)8-15(18)10-21-22/h4-10,13,23H,11-12H2,1-3H3
InChIKeySOQIGAVTLSKNTC-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.61
Rot. Bonds6

About methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate

methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (PubChem CID 86690440) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
PubChem CID86690440
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Namemethyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
SMILESCOC(=O)c1ccc2c(cnn2Cc2cc(O)ccc2OCC(C)C)c1
InChIInChI=1S/C20H22N2O4/c1-13(2)12-26-19-7-5-17(23)9-16(19)11-22-18-6-4-14(20(24)25-3)8-15(18)10-21-22/h4-10,13,23H,11-12H2,1-3H3
InChIKeySOQIGAVTLSKNTC-UHFFFAOYSA-N
XLogP3.61
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[[5-[tert-butyl(dimethyl)silyl]oxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690439
methyl 1-[[2-chloro-5-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate
CID 86690423
1-[1-[[5-(2-fluoro-2-phosphanylethoxy)-2-(2-methylpropoxy)phenyl]methyl]indazol-5-yl]-2-hydroxyethanone
CID 137397611
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]indazole
CID 137397184
methyl 3-acetyl-4-(2-methylpropoxy)benzoate
CID 97033851
1-[1-[[5-bromo-2-(cyclopropylmethoxy)phenyl]methyl]indazol-5-yl]ethanone
CID 147647708
methyl 1-chloroindazole-5-carboxylate
CID 175375288
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
dimethyl 3-(2-methylpropoxy)pyridine-2,5-dicarboxylate
CID 22923882
1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-amine;methyl 4-[[1-[[5-bromo-2-(2-methylpropoxy)phenyl]methyl]-5-methylpyrazol-3-yl]carbamoyl]benzoate
CID 157240090
1-[[5-chloro-1-(2-methylpropyl)indazol-7-yl]methyl]indazole-5-carboxylic acid
CID 91826286

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The IUPAC name of methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate (CID 86690440) is methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate.
What is the SMILES notation for methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The canonical SMILES for methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is COC(=O)c1ccc2c(cnn2Cc2cc(O)ccc2OCC(C)C)c1.
What is the InChIKey of methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
The InChIKey is SOQIGAVTLSKNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(2)12-26-19-7-5-17(23)9-16(19)11-22-18-6-4-14(20(24)25-3)8-15(18)10-21-22/h4-10,13,23H,11-12H2,1-3H3.
What are the key properties of methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate?
methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-hydroxy-2-(2-methylpropoxy)phenyl]methyl]indazole-5-carboxylate is sourced from PubChem (CID 86690440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).