2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate

C24H23NO4 — CID 17138750

IUPAC2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C24H23NO4/c1-15-7-6-8-17(13-15)25-16(2)22(24(27)29-12-11-28-3)20-14-21(26)18-9-4-5-10-19(18)23(20)25/h4-10,13-14,26H,11-12H2,1-3H3
InChIKeyOCRVGLBOBQCBCG-UHFFFAOYSA-N
MW389.45 g/mol
LogP4.91
Rot. Bonds5

About 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate

2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate (PubChem CID 17138750) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
PubChem CID17138750
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate
SMILESCOCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2c1cc(O)c1ccccc12
InChIInChI=1S/C24H23NO4/c1-15-7-6-8-17(13-15)25-16(2)22(24(27)29-12-11-28-3)20-14-21(26)18-9-4-5-10-19(18)23(20)25/h4-10,13-14,26H,11-12H2,1-3H3
InChIKeyOCRVGLBOBQCBCG-UHFFFAOYSA-N
XLogP4.91
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate?
The IUPAC name of 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate (CID 17138750) is 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate.
What is the SMILES notation for 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate?
The canonical SMILES for 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate is COCCOC(=O)c1c(C)n(-c2cccc(C)c2)c2c1cc(O)c1ccccc12.
What is the InChIKey of 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate?
The InChIKey is OCRVGLBOBQCBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-15-7-6-8-17(13-15)25-16(2)22(24(27)29-12-11-28-3)20-14-21(26)18-9-4-5-10-19(18)23(20)25/h4-10,13-14,26H,11-12H2,1-3H3.
What are the key properties of 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate?
2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 5-hydroxy-2-methyl-1-(3-methylphenyl)benzo[g]indole-3-carboxylate is sourced from PubChem (CID 17138750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).