ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate

C19H18BrNO3 — CID 7232147

IUPACethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Br)cc3)c(O)cc12
InChIInChI=1S/C19H18BrNO3/c1-4-24-19(23)18-11(2)21(3)16-9-14(17(22)10-15(16)18)12-5-7-13(20)8-6-12/h5-10,22H,4H2,1-3H3
InChIKeyCVGJHRDYNJJHQS-UHFFFAOYSA-N
MW388.26 g/mol
LogP4.80
Rot. Bonds3

About ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate

ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate (PubChem CID 7232147) has the molecular formula C19H18BrNO3 and a molecular weight of 388.26 g/mol. Its IUPAC name is ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate
PubChem CID7232147
Molecular FormulaC19H18BrNO3
Molecular Weight388.26 g/mol
Exact Mass387.05
IUPAC Nameethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Br)cc3)c(O)cc12
InChIInChI=1S/C19H18BrNO3/c1-4-24-19(23)18-11(2)21(3)16-9-14(17(22)10-15(16)18)12-5-7-13(20)8-6-12/h5-10,22H,4H2,1-3H3
InChIKeyCVGJHRDYNJJHQS-UHFFFAOYSA-N
XLogP4.80
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate?
The IUPAC name of ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate (CID 7232147) is ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate.
What is the SMILES notation for ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate?
The canonical SMILES for ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate is CCOC(=O)c1c(C)n(C)c2cc(-c3ccc(Br)cc3)c(O)cc12.
What is the InChIKey of ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate?
The InChIKey is CVGJHRDYNJJHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO3/c1-4-24-19(23)18-11(2)21(3)16-9-14(17(22)10-15(16)18)12-5-7-13(20)8-6-12/h5-10,22H,4H2,1-3H3.
What are the key properties of ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate?
ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate has a molecular weight of 388.26 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(4-bromophenyl)-5-hydroxy-1,2-dimethylindole-3-carboxylate is sourced from PubChem (CID 7232147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).