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

C15H10BrNO3 — CID 135358644

IUPAC4-bromo-6-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H10BrNO3/c16-12-6-10(20-9-4-2-1-3-5-9)7-13-11(12)8-14(17-13)15(18)19/h1-8,17H,(H,18,19)
InChIKeyJHQCHWLZMNXBBV-UHFFFAOYSA-N
MW332.15 g/mol
LogP4.42
Rot. Bonds3

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

4-bromo-6-phenoxy-1H-indole-2-carboxylic acid (PubChem CID 135358644) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-6-phenoxy-1H-indole-2-carboxylic acid
PubChem CID135358644
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name4-bromo-6-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C15H10BrNO3/c16-12-6-10(20-9-4-2-1-3-5-9)7-13-11(12)8-14(17-13)15(18)19/h1-8,17H,(H,18,19)
InChIKeyJHQCHWLZMNXBBV-UHFFFAOYSA-N
XLogP4.42
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid (CID 135358644) is 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2c(Br)cc(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid?
The InChIKey is JHQCHWLZMNXBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrNO3/c16-12-6-10(20-9-4-2-1-3-5-9)7-13-11(12)8-14(17-13)15(18)19/h1-8,17H,(H,18,19).
What are the key properties of 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid?
4-bromo-6-phenoxy-1H-indole-2-carboxylic acid has a molecular weight of 332.15 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-phenoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 135358644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).