1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid

C17H15NO3 — CID 174792503

IUPAC1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
SMILESCCn1ccc2c(-c3ccccc3)cc(C(=O)O)c(O)c21
InChIInChI=1S/C17H15NO3/c1-2-18-9-8-12-13(11-6-4-3-5-7-11)10-14(17(20)21)16(19)15(12)18/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyBVIQQKFGZLYEBR-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.73
Rot. Bonds3

About 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid

1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid (PubChem CID 174792503) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
PubChem CID174792503
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid
SMILESCCn1ccc2c(-c3ccccc3)cc(C(=O)O)c(O)c21
InChIInChI=1S/C17H15NO3/c1-2-18-9-8-12-13(11-6-4-3-5-7-11)10-14(17(20)21)16(19)15(12)18/h3-10,19H,2H2,1H3,(H,20,21)
InChIKeyBVIQQKFGZLYEBR-UHFFFAOYSA-N
XLogP3.73
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
1-ethyl-5-methylindole-7-carboxylic acid
CID 83946023
2-hydroxy-5-methyl-3-phenylbenzoic acid;zinc
CID 58652419
1-ethyl-6-fluoroindole-4-carboxylic acid
CID 175074591
1-ethyl-4-oxo-5-phenylpyridine-3-carboxylic acid
CID 12624227
ethyl 1-hydroxy-6-methyl-4-phenylnaphthalene-2-carboxylate
CID 152738087
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
1-ethyl-3-(hydroxymethyl)indole-7-carboxylic acid
CID 117182666
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-hydroxy-5-phenyl-4-(trifluoromethyl)benzoic acid
CID 175158556
4-ethyl-3-hydroxynaphthalene-2-carboxylic acid
CID 141486602
3-(4-chlorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 117223339

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid?
The IUPAC name of 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid (CID 174792503) is 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid?
The canonical SMILES for 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid is CCn1ccc2c(-c3ccccc3)cc(C(=O)O)c(O)c21.
What is the InChIKey of 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid?
The InChIKey is BVIQQKFGZLYEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-18-9-8-12-13(11-6-4-3-5-7-11)10-14(17(20)21)16(19)15(12)18/h3-10,19H,2H2,1H3,(H,20,21).
What are the key properties of 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid?
1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-hydroxy-4-phenylindole-6-carboxylic acid is sourced from PubChem (CID 174792503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).