ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate

C18H17NO3 — CID 1257583

IUPACethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(21)16-14-11-13(20)9-10-15(14)19(2)17(16)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyVRXSFHGDPQHWSQ-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.73
Rot. Bonds3

About ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate

ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate (PubChem CID 1257583) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
PubChem CID1257583
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Nameethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12
InChIInChI=1S/C18H17NO3/c1-3-22-18(21)16-14-11-13(20)9-10-15(14)19(2)17(16)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3
InChIKeyVRXSFHGDPQHWSQ-UHFFFAOYSA-N
XLogP3.73
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
ethyl 5-methoxy-1-methyl-2-phenyl-6-pyridin-3-ylindole-3-carboxylate
CID 71694793
ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
CID 71694791
ethyl 1-methyl-2-(methylaminomethyl)-5-phenylindole-3-carboxylate
CID 170077347
ethyl 2-[(4-fluorophenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate
CID 90643727
(6-bromo-3-ethoxycarbonyl-5-hydroxy-1-methyl-2-phenylindol-4-yl)methanesulfonic acid
CID 87437248
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 5-hydroxy-2-methyl-1-(2-naphthalen-1-yloxyethyl)indole-3-carboxylate
CID 1036735
ethyl 5-hydroxy-1-methyl-2-(4-nitrophenyl)-6-pyridin-3-ylindole-3-carboxylate
CID 71694794
ethyl 2-[(2,4-difluorophenyl)sulfanylmethyl]-5-hydroxy-1-methylindole-3-carboxylate
CID 90643729
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate (CID 1257583) is ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate?
The InChIKey is VRXSFHGDPQHWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-3-22-18(21)16-14-11-13(20)9-10-15(14)19(2)17(16)12-7-5-4-6-8-12/h4-11,20H,3H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate?
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate has a molecular weight of 295.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate is sourced from PubChem (CID 1257583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).