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

C15H11NO3 — CID 4270371

IUPAC5-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
InChIInChI=1S/C15H11NO3/c17-15(18)14-9-10-8-12(6-7-13(10)16-14)19-11-4-2-1-3-5-11/h1-9,16H,(H,17,18)
InChIKeyKIVFYFCCEIOXCO-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.66
Rot. Bonds3

About 5-phenoxy-1H-indole-2-carboxylic acid

5-phenoxy-1H-indole-2-carboxylic acid (PubChem CID 4270371) has the molecular formula C15H11NO3 and a molecular weight of 253.26 g/mol. Its IUPAC name is 5-phenoxy-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name5-phenoxy-1H-indole-2-carboxylic acid
PubChem CID4270371
Molecular FormulaC15H11NO3
Molecular Weight253.26 g/mol
Exact Mass253.07
IUPAC Name5-phenoxy-1H-indole-2-carboxylic acid
SMILESO=C(O)c1cc2cc(Oc3ccccc3)ccc2[nH]1
InChIInChI=1S/C15H11NO3/c17-15(18)14-9-10-8-12(6-7-13(10)16-14)19-11-4-2-1-3-5-11/h1-9,16H,(H,17,18)
InChIKeyKIVFYFCCEIOXCO-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

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Frequently Asked Questions

What is the IUPAC name of 5-phenoxy-1H-indole-2-carboxylic acid?
The IUPAC name of 5-phenoxy-1H-indole-2-carboxylic acid (CID 4270371) is 5-phenoxy-1H-indole-2-carboxylic acid.
What is the SMILES notation for 5-phenoxy-1H-indole-2-carboxylic acid?
The canonical SMILES for 5-phenoxy-1H-indole-2-carboxylic acid is O=C(O)c1cc2cc(Oc3ccccc3)ccc2[nH]1.
What is the InChIKey of 5-phenoxy-1H-indole-2-carboxylic acid?
The InChIKey is KIVFYFCCEIOXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3/c17-15(18)14-9-10-8-12(6-7-13(10)16-14)19-11-4-2-1-3-5-11/h1-9,16H,(H,17,18).
What are the key properties of 5-phenoxy-1H-indole-2-carboxylic acid?
5-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 5-phenoxy-1H-indole-2-carboxylic acid is sourced from PubChem (CID 4270371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).