2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile

C21H14N2O3 — CID 110449418

IUPAC2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile
SMILESN#CC1c2cc(Oc3ccccc3)ccc2C(=O)N1c1ccccc1O
InChIInChI=1S/C21H14N2O3/c22-13-19-17-12-15(26-14-6-2-1-3-7-14)10-11-16(17)21(25)23(19)18-8-4-5-9-20(18)24/h1-12,19,24H
InChIKeyNQBKXMUTGIOFAU-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.41
Rot. Bonds3

About 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile

2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile (PubChem CID 110449418) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile
PubChem CID110449418
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile
SMILESN#CC1c2cc(Oc3ccccc3)ccc2C(=O)N1c1ccccc1O
InChIInChI=1S/C21H14N2O3/c22-13-19-17-12-15(26-14-6-2-1-3-7-14)10-11-16(17)21(25)23(19)18-8-4-5-9-20(18)24/h1-12,19,24H
InChIKeyNQBKXMUTGIOFAU-UHFFFAOYSA-N
XLogP4.41
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyano-3-oxo-6-phenoxy-1H-isoindol-2-yl)-3-hydroxypropanoic acid
CID 110449413
2-[3-(1-hydroxy-3-oxo-6-phenoxy-1H-isoindol-2-yl)phenyl]isoindole-1,3-dione
CID 142393891
6-[(dimethylamino)methyl]-2-(2-methoxyphenyl)-3-oxo-1H-isoindole-1-carbonitrile
CID 110448925
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)benzoic acid
CID 1360682
(4Z)-4-[hydroxy-(4-methylphenyl)methylidene]-1-(2-hydroxyphenyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711991
(4Z)-4-[(4-bromophenyl)-hydroxymethylidene]-1-(2-hydroxyphenyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711985
(4Z)-4-[(3-chlorophenyl)-hydroxymethylidene]-1-(2-hydroxyphenyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711984
(4E)-4-[(2,4-dimethoxyphenyl)-hydroxymethylidene]-1-(2-hydroxyphenyl)-5-(3-phenoxyphenyl)pyrrolidine-2,3-dione
CID 108711976
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
3-dimethoxyphosphoryl-5-phenoxy-3H-2-benzofuran-1-one
CID 169220063
3-[4-[1,3-dioxo-2-(2-phenylphenyl)isoindol-5-yl]oxyphenoxy]benzoic acid
CID 126478004
5-[4-[4-(2-phenylethynyl)phenoxy]phenoxy]indene-1,3-dione
CID 54059446

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile?
The IUPAC name of 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile (CID 110449418) is 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile.
What is the SMILES notation for 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile?
The canonical SMILES for 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile is N#CC1c2cc(Oc3ccccc3)ccc2C(=O)N1c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile?
The InChIKey is NQBKXMUTGIOFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c22-13-19-17-12-15(26-14-6-2-1-3-7-14)10-11-16(17)21(25)23(19)18-8-4-5-9-20(18)24/h1-12,19,24H.
What are the key properties of 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile?
2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile has a molecular weight of 342.35 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-3-oxo-6-phenoxy-1H-isoindole-1-carbonitrile is sourced from PubChem (CID 110449418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).