methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate

C19H19NO3 — CID 67272736

IUPACmethyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(C)c2cc(-c3ccc(O)cc3C)ccc12
InChIInChI=1S/C19H19NO3/c1-11-9-14(21)6-8-15(11)13-5-7-16-17(10-13)20(3)12(2)18(16)19(22)23-4/h5-10,21H,1-4H3
InChIKeyALLLYUJHFZWQHP-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.95
Rot. Bonds2

About methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate

methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate (PubChem CID 67272736) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate
PubChem CID67272736
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate
SMILESCOC(=O)c1c(C)n(C)c2cc(-c3ccc(O)cc3C)ccc12
InChIInChI=1S/C19H19NO3/c1-11-9-14(21)6-8-15(11)13-5-7-16-17(10-13)20(3)12(2)18(16)19(22)23-4/h5-10,21H,1-4H3
InChIKeyALLLYUJHFZWQHP-UHFFFAOYSA-N
XLogP3.95
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate?
The IUPAC name of methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate (CID 67272736) is methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate is COC(=O)c1c(C)n(C)c2cc(-c3ccc(O)cc3C)ccc12.
What is the InChIKey of methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate?
The InChIKey is ALLLYUJHFZWQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11-9-14(21)6-8-15(11)13-5-7-16-17(10-13)20(3)12(2)18(16)19(22)23-4/h5-10,21H,1-4H3.
What are the key properties of methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate?
methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-hydroxy-2-methylphenyl)-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 67272736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).