ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate

C20H23NO3 — CID 23792872

IUPACethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C(C)C)c2c1c(C)c(O)c1ccccc12
InChIInChI=1S/C20H23NO3/c1-6-24-20(23)17-13(5)21(11(2)3)18-14-9-7-8-10-15(14)19(22)12(4)16(17)18/h7-11,22H,6H2,1-5H3
InChIKeyRYQQIQVORZNGIF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.87
Rot. Bonds3

About ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate

ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate (PubChem CID 23792872) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate
PubChem CID23792872
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C(C)C)c2c1c(C)c(O)c1ccccc12
InChIInChI=1S/C20H23NO3/c1-6-24-20(23)17-13(5)21(11(2)3)18-14-9-7-8-10-15(14)19(22)12(4)16(17)18/h7-11,22H,6H2,1-5H3
InChIKeyRYQQIQVORZNGIF-UHFFFAOYSA-N
XLogP4.87
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-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

Related Compounds

2-(3-ethoxycarbonyl-5-hydroxy-2-methyl-1-propan-2-ylindol-4-yl)propanoic acid
CID 54052596
ethyl 4-hydroxy-2-methyl-5-nitroso-1-phenylbenzo[g]indole-3-carboxylate
CID 15420181
ethyl 4-[2-ethoxy-1-(3-hydroxyphenyl)-2-oxoethyl]-2-methyl-1-propan-2-ylindole-3-carboxylate
CID 54192870
2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-4-yl)-2-(3-hydroxyphenyl)acetic acid
CID 54296231
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
ethyl 2,3-dimethylbenzo[e]indole-1-carboxylate
CID 170074129
2-(3-ethoxycarbonyl-2-methyl-1-propan-2-ylindol-4-yl)-2-(3-hydroxyphenyl)propanoic acid
CID 54446326
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
ethyl 1,3,4-trimethyltriphenylene-2-carboxylate
CID 71733797
ethyl 3-hydroxy-10-nitroso-1-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene-12-carboxylate
CID 23833565
ethyl 4-[2-(4-chloro-3-hydroxyphenyl)-1-ethoxy-1-oxopropan-2-yl]-2-methyl-1-propan-2-ylindole-3-carboxylate
CID 70620976
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate (CID 23792872) is ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate is CCOC(=O)c1c(C)n(C(C)C)c2c1c(C)c(O)c1ccccc12.
What is the InChIKey of ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate?
The InChIKey is RYQQIQVORZNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-6-24-20(23)17-13(5)21(11(2)3)18-14-9-7-8-10-15(14)19(22)12(4)16(17)18/h7-11,22H,6H2,1-5H3.
What are the key properties of ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate?
ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2,4-dimethyl-1-propan-2-ylbenzo[g]indole-3-carboxylate is sourced from PubChem (CID 23792872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).