2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid

C18H19NO3 — CID 70356669

IUPAC2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyHVWMDDHPMOXSDU-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.62
Rot. Bonds4

About 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid

2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid (PubChem CID 70356669) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
PubChem CID70356669
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid
SMILESCCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1
InChIInChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21)
InChIKeyHVWMDDHPMOXSDU-UHFFFAOYSA-N
XLogP3.62
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxyphenyl)-4-methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115064566
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CID 115003677
methyl (3aS)-4-(3-methoxyphenyl)-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylate
CID 41088275
1-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 22548627
ethyl 7-methoxy-4-oxo-2-phenyl-1,3-dihydroisoquinoline-3-carboxylate
CID 22507161
2-[(3-methoxyphenyl)methyl]-1,3-dihydroinden-2-ol
CID 65147763
2-(2H-chromen-3-yl)-N,1-bis(3-methoxyphenyl)-4-oxoazetidine-2-carboxamide
CID 3413502
N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
2-[5-methoxy-1-(3-methoxyphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 117124014
4-(3-methoxyphenyl)piperazine-2,6-dione
CID 63788375
(2R)-2-(3-methoxyphenoxy)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]butan-1-one
CID 28635809
3-(3-methoxyphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82475750

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid (CID 70356669) is 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid is CCC1(C(=O)O)Cc2ccccc2N1c1cccc(OC)c1.
What is the InChIKey of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
The InChIKey is HVWMDDHPMOXSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-3-18(17(20)21)12-13-7-4-5-10-16(13)19(18)14-8-6-9-15(11-14)22-2/h4-11H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid?
2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxyphenyl)-3H-indole-2-carboxylic acid is sourced from PubChem (CID 70356669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).