ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate

C16H15NO3 — CID 1079369

IUPACethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2c1cc(O)c1ccccc12
InChIInChI=1S/C16H15NO3/c1-3-20-16(19)14-9(2)17-15-11-7-5-4-6-10(11)13(18)8-12(14)15/h4-8,17-18H,3H2,1-2H3
InChIKeyNMBZINJRGOLNHQ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.51
Rot. Bonds2

About ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate

ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate (PubChem CID 1079369) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
PubChem CID1079369
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Nameethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2c1cc(O)c1ccccc12
InChIInChI=1S/C16H15NO3/c1-3-20-16(19)14-9(2)17-15-11-7-5-4-6-10(11)13(18)8-12(14)15/h4-8,17-18H,3H2,1-2H3
InChIKeyNMBZINJRGOLNHQ-UHFFFAOYSA-N
XLogP3.51
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate (CID 1079369) is ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate is CCOC(=O)c1c(C)[nH]c2c1cc(O)c1ccccc12.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate?
The InChIKey is NMBZINJRGOLNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-20-16(19)14-9(2)17-15-11-7-5-4-6-10(11)13(18)8-12(14)15/h4-8,17-18H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate?
ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate has a molecular weight of 269.30 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-1H-benzo[g]indole-3-carboxylate is sourced from PubChem (CID 1079369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).