4-phenoxy-1H-indole-2-carboxylic acid

C15H11NO3 — CID 59600239

IUPAC4-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H11NO3/c17-15(18)13-9-11-12(16-13)7-4-8-14(11)19-10-5-2-1-3-6-10/h1-9,16H,(H,17,18)
InChIKeyOQJKVMXXVKTPBC-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.66
Rot. Bonds3

About 4-phenoxy-1H-indole-2-carboxylic acid

4-phenoxy-1H-indole-2-carboxylic acid (PubChem CID 59600239) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4-phenoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-phenoxy-1H-indole-2-carboxylic acid
PubChem CID59600239
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name4-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccccc3)cccc2[nH]1
InChIInChI=1S/C15H11NO3/c17-15(18)13-9-11-12(16-13)7-4-8-14(11)19-10-5-2-1-3-6-10/h1-9,16H,(H,17,18)
InChIKeyOQJKVMXXVKTPBC-UHFFFAOYSA-N
XLogP3.66
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-phenoxy-1H-indole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
CID 135358549
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 146350301
4-(3-fluorophenoxy)-N-[1-[2-(4-hydroxypiperidin-1-yl)ethyl]piperidin-4-yl]-1H-indole-2-carboxamide;4-(4-fluorophenoxy)-1H-indole-2-carboxylic acid
CID 160521933
methyl 4-(2-chlorophenoxy)-1H-indole-2-carboxylate
CID 135358278
(2-phenoxyphenyl)methyl 4-oxo-1H-quinoline-2-carboxylate
CID 7508146
4-[2-hydroxy-3-[4-(phenoxymethyl)piperidin-1-yl]propoxy]-1H-indole-2-carboxylic acid
CID 21327275
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838
4-(4-ethoxyphenyl)-1H-indole-2-carboxylic acid
CID 66841435
N-[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]-4-(4-fluorophenoxy)-1H-indole-2-carboxamide
CID 59600126
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-phenoxy-1H-indole-2-carboxylic acid (CID 59600239) is 4-phenoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-phenoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-phenoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Oc3ccccc3)cccc2[nH]1.
What is the InChIKey of 4-phenoxy-1H-indole-2-carboxylic acid?
The InChIKey is OQJKVMXXVKTPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)13-9-11-12(16-13)7-4-8-14(11)19-10-5-2-1-3-6-10/h1-9,16H,(H,17,18).
What are the key properties of 4-phenoxy-1H-indole-2-carboxylic acid?
4-phenoxy-1H-indole-2-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 59600239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).