3-cyano-4-indol-1-yloxybenzoic acid

C16H10N2O3 — CID 151152888

IUPAC3-cyano-4-indol-1-yloxybenzoic acid
SMILESN#Cc1cc(C(=O)O)ccc1On1ccc2ccccc21
InChIInChI=1S/C16H10N2O3/c17-10-13-9-12(16(19)20)5-6-15(13)21-18-8-7-11-3-1-2-4-14(11)18/h1-9H,(H,19,20)
InChIKeyMYPFCAKDAYIZAZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP3.05
Rot. Bonds3

About 3-cyano-4-indol-1-yloxybenzoic acid

3-cyano-4-indol-1-yloxybenzoic acid (PubChem CID 151152888) has the molecular formula C16H10N2O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-cyano-4-indol-1-yloxybenzoic acid.

Molecular Properties

Compound Name3-cyano-4-indol-1-yloxybenzoic acid
PubChem CID151152888
Molecular FormulaC16H10N2O3
Molecular Weight278.27 g/mol
Exact Mass278.07
IUPAC Name3-cyano-4-indol-1-yloxybenzoic acid
SMILESN#Cc1cc(C(=O)O)ccc1On1ccc2ccccc21
InChIInChI=1S/C16H10N2O3/c17-10-13-9-12(16(19)20)5-6-15(13)21-18-8-7-11-3-1-2-4-14(11)18/h1-9H,(H,19,20)
InChIKeyMYPFCAKDAYIZAZ-UHFFFAOYSA-N
XLogP3.05
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-indol-1-yloxybenzoic acid?
The IUPAC name of 3-cyano-4-indol-1-yloxybenzoic acid (CID 151152888) is 3-cyano-4-indol-1-yloxybenzoic acid.
What is the SMILES notation for 3-cyano-4-indol-1-yloxybenzoic acid?
The canonical SMILES for 3-cyano-4-indol-1-yloxybenzoic acid is N#Cc1cc(C(=O)O)ccc1On1ccc2ccccc21.
What is the InChIKey of 3-cyano-4-indol-1-yloxybenzoic acid?
The InChIKey is MYPFCAKDAYIZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O3/c17-10-13-9-12(16(19)20)5-6-15(13)21-18-8-7-11-3-1-2-4-14(11)18/h1-9H,(H,19,20).
What are the key properties of 3-cyano-4-indol-1-yloxybenzoic acid?
3-cyano-4-indol-1-yloxybenzoic acid has a molecular weight of 278.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-indol-1-yloxybenzoic acid is sourced from PubChem (CID 151152888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).