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

C15H10ClNO3 — CID 135358549

IUPAC6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccccc3)cc(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClNO3/c16-9-6-12-11(8-13(17-12)15(18)19)14(7-9)20-10-4-2-1-3-5-10/h1-8,17H,(H,18,19)
InChIKeyZPJPVGQCIOGTFY-UHFFFAOYSA-N
MW287.70 g/mol
LogP4.31
Rot. Bonds3

About 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid

6-chloro-4-phenoxy-1H-indole-2-carboxylic acid (PubChem CID 135358549) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
PubChem CID135358549
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name6-chloro-4-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Oc3ccccc3)cc(Cl)cc2[nH]1
InChIInChI=1S/C15H10ClNO3/c16-9-6-12-11(8-13(17-12)15(18)19)14(7-9)20-10-4-2-1-3-5-10/h1-8,17H,(H,18,19)
InChIKeyZPJPVGQCIOGTFY-UHFFFAOYSA-N
XLogP4.31
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-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

4-phenoxy-1H-indole-2-carboxylic acid
CID 59600239
6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid
CID 135358366
6-chloro-4-[4-(4-chlorophenoxy)phenyl]sulfanyl-1H-indole-2-carboxylic acid
CID 135358772
6-chloro-4-phenyl-1H-indole-2-carboxylic acid
CID 135358555
methyl 4-chloro-6-phenoxy-1H-indole-2-carboxylate
CID 135358602
5-(2-phenoxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 146350301
7-fluoro-4-(3-fluoro-4-phenoxyanilino)-1H-indole-2-carboxylic acid
CID 165179987
[6-chloro-4-(2-chlorophenoxy)-1H-indol-2-yl]methanol
CID 135358431
(2,5-dichloro-3-phenoxyphenyl)-(4-phenoxyphenyl)methanone
CID 69006998
4,6-diethoxy-1H-indole-2-carboxylic acid
CID 7141872
4-propan-2-yloxy-1H-indole-2-carboxylic acid
CID 66841602
(2-chloro-4-phenoxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 163406654

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid (CID 135358549) is 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Oc3ccccc3)cc(Cl)cc2[nH]1.
What is the InChIKey of 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid?
The InChIKey is ZPJPVGQCIOGTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-9-6-12-11(8-13(17-12)15(18)19)14(7-9)20-10-4-2-1-3-5-10/h1-8,17H,(H,18,19).
What are the key properties of 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid?
6-chloro-4-phenoxy-1H-indole-2-carboxylic acid has a molecular weight of 287.70 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 135358549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).