4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid

C22H14N2O3 — CID 58437277

IUPAC4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C22H14N2O3/c23-12-16-13-24(17-7-8-18(22(26)27)21(25)11-17)20-9-6-15(10-19(16)20)14-4-2-1-3-5-14/h1-11,13,25H,(H,26,27)
InChIKeySBDFYKRGADTCMH-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.57
Rot. Bonds3

About 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid

4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid (PubChem CID 58437277) has the molecular formula C22H14N2O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
PubChem CID58437277
Molecular FormulaC22H14N2O3
Molecular Weight354.37 g/mol
Exact Mass354.10
IUPAC Name4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid
SMILESN#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C22H14N2O3/c23-12-16-13-24(17-7-8-18(22(26)27)21(25)11-17)20-9-6-15(10-19(16)20)14-4-2-1-3-5-14/h1-11,13,25H,(H,26,27)
InChIKeySBDFYKRGADTCMH-UHFFFAOYSA-N
XLogP4.57
TPSA86.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyanoindol-1-yl)-2-hydroxybenzoic acid
CID 58437243
4-(3-cyano-5-fluoroindol-1-yl)-2-hydroxybenzoic acid
CID 25020793
4-(3-cyano-5-hydroxy-6-methylindol-1-yl)-2-hydroxybenzoic acid
CID 58437302
4-(3-cyanoindol-1-yl)-2-hydroxybenzamide
CID 141458608
4-(3-cyanoindol-1-yl)-2-methoxybenzoic acid
CID 58437505
4-(4-cyano-2-methylthieno[2,3-b]pyrrol-6-yl)-2-hydroxybenzoic acid
CID 71532209
4-[3-cyano-6-(3-hydroxypropoxy)indol-1-yl]-2-hydroxybenzoic acid
CID 58437404
4-(3-amino-4-cyano-2-methoxycarbonylpyrrol-1-yl)-2-hydroxybenzoic acid
CID 168511718
ethyl 4-(3-cyano-5,6-difluoroindol-1-yl)-2-hydroxybenzoate
CID 58437226
4-(3-cyano-6-fluoro-5-hydroxyindol-1-yl)benzoic acid
CID 58437488
4-[3-cyano-4-(3-fluorophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid
CID 59477521
4-(1-cyanoindolizin-3-yl)-2-hydroxybenzoic acid
CID 46931655

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid (CID 58437277) is 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid is N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid?
The InChIKey is SBDFYKRGADTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N2O3/c23-12-16-13-24(17-7-8-18(22(26)27)21(25)11-17)20-9-6-15(10-19(16)20)14-4-2-1-3-5-14/h1-11,13,25H,(H,26,27).
What are the key properties of 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid?
4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid has a molecular weight of 354.37 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyano-5-phenylindol-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 58437277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).