ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate

C24H23NO4 — CID 1036735

IUPACethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCOc2cccc3ccccc23)c2ccc(O)cc12
InChIInChI=1S/C24H23NO4/c1-3-28-24(27)23-16(2)25(21-12-11-18(26)15-20(21)23)13-14-29-22-10-6-8-17-7-4-5-9-19(17)22/h4-12,15,26H,3,13-14H2,1-2H3
InChIKeyCFNOOUNVIXAQCB-UHFFFAOYSA-N
MW389.45 g/mol
LogP5.06
Rot. Bonds6

About ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate

ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate (PubChem CID 1036735) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate
PubChem CID1036735
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Nameethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(CCOc2cccc3ccccc23)c2ccc(O)cc12
InChIInChI=1S/C24H23NO4/c1-3-28-24(27)23-16(2)25(21-12-11-18(26)15-20(21)23)13-14-29-22-10-6-8-17-7-4-5-9-19(17)22/h4-12,15,26H,3,13-14H2,1-2H3
InChIKeyCFNOOUNVIXAQCB-UHFFFAOYSA-N
XLogP5.06
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate (CID 1036735) is ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate is CCOC(=O)c1c(C)n(CCOc2cccc3ccccc23)c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate?
The InChIKey is CFNOOUNVIXAQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO4/c1-3-28-24(27)23-16(2)25(21-12-11-18(26)15-20(21)23)13-14-29-22-10-6-8-17-7-4-5-9-19(17)22/h4-12,15,26H,3,13-14H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate?
ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate is sourced from PubChem (CID 1036735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).