4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid

C19H16N2O3 — CID 126667384

IUPAC4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid
SMILESCC(C)n1cc(C#N)c2cccc(-c3ccc(C(=O)O)c(O)c3)c21
InChIInChI=1S/C19H16N2O3/c1-11(2)21-10-13(9-20)15-5-3-4-14(18(15)21)12-6-7-16(19(23)24)17(22)8-12/h3-8,10-11,22H,1-2H3,(H,23,24)
InChIKeyUXZIVDIUQNSHJC-UHFFFAOYSA-N
MW320.35 g/mol
LogP4.16
Rot. Bonds3

About 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid

4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid (PubChem CID 126667384) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid
PubChem CID126667384
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid
SMILESCC(C)n1cc(C#N)c2cccc(-c3ccc(C(=O)O)c(O)c3)c21
InChIInChI=1S/C19H16N2O3/c1-11(2)21-10-13(9-20)15-5-3-4-14(18(15)21)12-6-7-16(19(23)24)17(22)8-12/h3-8,10-11,22H,1-2H3,(H,23,24)
InChIKeyUXZIVDIUQNSHJC-UHFFFAOYSA-N
XLogP4.16
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid (CID 126667384) is 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid is CC(C)n1cc(C#N)c2cccc(-c3ccc(C(=O)O)c(O)c3)c21.
What is the InChIKey of 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid?
The InChIKey is UXZIVDIUQNSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-11(2)21-10-13(9-20)15-5-3-4-14(18(15)21)12-6-7-16(19(23)24)17(22)8-12/h3-8,10-11,22H,1-2H3,(H,23,24).
What are the key properties of 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid?
4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid has a molecular weight of 320.35 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-1-propan-2-ylindol-7-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 126667384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).