ethyl 2-hydroxy-6-phenylindole-1-carboxylate

C17H15NO3 — CID 57179740

IUPACethyl 2-hydroxy-6-phenylindole-1-carboxylate
SMILESCCOC(=O)n1c(O)cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H15NO3/c1-2-21-17(20)18-15-10-13(12-6-4-3-5-7-12)8-9-14(15)11-16(18)19/h3-11,19H,2H2,1H3
InChIKeyJMYBKCNHAMHJGJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP4.02
Rot. Bonds2

About ethyl 2-hydroxy-6-phenylindole-1-carboxylate

ethyl 2-hydroxy-6-phenylindole-1-carboxylate (PubChem CID 57179740) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 2-hydroxy-6-phenylindole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-6-phenylindole-1-carboxylate
PubChem CID57179740
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 2-hydroxy-6-phenylindole-1-carboxylate
SMILESCCOC(=O)n1c(O)cc2ccc(-c3ccccc3)cc21
InChIInChI=1S/C17H15NO3/c1-2-21-17(20)18-15-10-13(12-6-4-3-5-7-12)8-9-14(15)11-16(18)19/h3-11,19H,2H2,1H3
InChIKeyJMYBKCNHAMHJGJ-UHFFFAOYSA-N
XLogP4.02
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-azulen-2-ylbenzoate
CID 122206706
ethyl acetate;1-methyl-4-phenylbenzene
CID 54016895
tert-butyl 2-hydroxyindole-1-carboxylate
CID 59887114
ethyl 2,3-diphenylbenzo[g]indole-1-carboxylate
CID 102335949
2-[4-(2H-tetrazol-5-yl)phenyl]iminobutyl 2-hydroxyindole-1-carboxylate
CID 91455663
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-[(E)-2-(4-methylphenyl)ethenyl]indole-1-carboxylate
CID 71533944
ethyl 7-methoxy-1-(4-phenylbenzoyl)pyrrolo[1,2-a]quinoline-3-carboxylate
CID 45051074
bicyclo[3.1.0]hexa-1(6),2,4-triene;ethyl benzoate
CID 67172925
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 2-oxo-2-(3-phenylphenyl)acetate
CID 42639767
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-6-phenylindole-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-6-phenylindole-1-carboxylate (CID 57179740) is ethyl 2-hydroxy-6-phenylindole-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-6-phenylindole-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-6-phenylindole-1-carboxylate is CCOC(=O)n1c(O)cc2ccc(-c3ccccc3)cc21.
What is the InChIKey of ethyl 2-hydroxy-6-phenylindole-1-carboxylate?
The InChIKey is JMYBKCNHAMHJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-21-17(20)18-15-10-13(12-6-4-3-5-7-12)8-9-14(15)11-16(18)19/h3-11,19H,2H2,1H3.
What are the key properties of ethyl 2-hydroxy-6-phenylindole-1-carboxylate?
ethyl 2-hydroxy-6-phenylindole-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-6-phenylindole-1-carboxylate is sourced from PubChem (CID 57179740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).