ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate

C22H25NO3 — CID 23958779

IUPACethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C2CCCCC2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C22H25NO3/c1-3-26-22(25)20-14(2)23(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(24)13-18(20)21/h7-8,11-13,15,24H,3-6,9-10H2,1-2H3
InChIKeyASBZMEDCGPBWJF-UHFFFAOYSA-N
MW351.45 g/mol
LogP5.49
Rot. Bonds3

About ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate

ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate (PubChem CID 23958779) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
PubChem CID23958779
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Nameethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(C2CCCCC2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C22H25NO3/c1-3-26-22(25)20-14(2)23(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(24)13-18(20)21/h7-8,11-13,15,24H,3-6,9-10H2,1-2H3
InChIKeyASBZMEDCGPBWJF-UHFFFAOYSA-N
XLogP5.49
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[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

ethyl 1-[(2-chlorophenyl)methyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate
CID 17370080
ethyl 1-cyclohexyl-2,5-dimethylpyrrole-3-carboxylate
CID 90379200
2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
CID 17138750
ethyl 5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate
CID 678599
ethyl 2-[[2-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzoate
CID 110655177
ethyl 6-bromo-1-cyclohexyl-5-hydroxy-2-[[4-(4-methylphenyl)piperazin-1-yl]methyl]indole-3-carboxylate
CID 5294958
ethyl 1-cyclohexyl-2-methyl-5-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methoxy]indole-3-carboxylate
CID 11281456
diethyl phenanthrene-9,10-dicarboxylate
CID 135029572
diethyl 1-cyclohexyl-2-(cyclohexylamino)-5-(2,5-dioxopyrrolidin-1-yl)pyrrole-3,4-dicarboxylate
CID 101351896
ethyl 5-hydroxy-2-phenylbenzo[g][1]benzofuran-3-carboxylate
CID 869250
ethyl 4-[[2-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]amino]benzoate
CID 110654680
diethyl (3S)-5-oxo-2,3-dihydro-1H-pyrrolo[1,2-b]isoquinoline-3,10-dicarboxylate
CID 25138662

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The IUPAC name of ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate (CID 23958779) is ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate.
What is the SMILES notation for ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The canonical SMILES for ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate is CCOC(=O)c1c(C)n(C2CCCCC2)c2c1cc(O)c1ccccc12.
What is the InChIKey of ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
The InChIKey is ASBZMEDCGPBWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-3-26-22(25)20-14(2)23(15-9-5-4-6-10-15)21-17-12-8-7-11-16(17)19(24)13-18(20)21/h7-8,11-13,15,24H,3-6,9-10H2,1-2H3.
What are the key properties of ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate?
ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclohexyl-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate is sourced from PubChem (CID 23958779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).