4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid

C19H16N2O4 — CID 58437466

IUPAC4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)Oc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1
InChIInChI=1S/C19H16N2O4/c1-11(2)25-14-4-6-15-12(9-20)10-21(17(15)8-14)13-3-5-16(19(23)24)18(22)7-13/h3-8,10-11,22H,1-2H3,(H,23,24)
InChIKeyDILTZIJETOAXHV-UHFFFAOYSA-N
MW336.35 g/mol
LogP3.69
Rot. Bonds4

About 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid

4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid (PubChem CID 58437466) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid
PubChem CID58437466
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid
SMILESCC(C)Oc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1
InChIInChI=1S/C19H16N2O4/c1-11(2)25-14-4-6-15-12(9-20)10-21(17(15)8-14)13-3-5-16(19(23)24)18(22)7-13/h3-8,10-11,22H,1-2H3,(H,23,24)
InChIKeyDILTZIJETOAXHV-UHFFFAOYSA-N
XLogP3.69
TPSA95.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid (CID 58437466) is 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid is CC(C)Oc1ccc2c(C#N)cn(-c3ccc(C(=O)O)c(O)c3)c2c1.
What is the InChIKey of 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is DILTZIJETOAXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11(2)25-14-4-6-15-12(9-20)10-21(17(15)8-14)13-3-5-16(19(23)24)18(22)7-13/h3-8,10-11,22H,1-2H3,(H,23,24).
What are the key properties of 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid?
4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 336.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-6-propan-2-yloxyindol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 58437466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).