3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione

C14H18N2O3 — CID 91483530

IUPAC3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione
SMILESCC(=O)C(/N=N/c1ccccc1OC(C)C)C(C)=O
InChIInChI=1S/C14H18N2O3/c1-9(2)19-13-8-6-5-7-12(13)15-16-14(10(3)17)11(4)18/h5-9,14H,1-4H3/b16-15+
InChIKeyQTVLNUPFTQFXFY-FOCLMDBBSA-N
MW262.31 g/mol
LogP3.10
Rot. Bonds6

About 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione

3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione (PubChem CID 91483530) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione.

Molecular Properties

Compound Name3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione
PubChem CID91483530
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione
SMILESCC(=O)C(/N=N/c1ccccc1OC(C)C)C(C)=O
InChIInChI=1S/C14H18N2O3/c1-9(2)19-13-8-6-5-7-12(13)15-16-14(10(3)17)11(4)18/h5-9,14H,1-4H3/b16-15+
InChIKeyQTVLNUPFTQFXFY-FOCLMDBBSA-N
XLogP3.10
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yloxybenzoyl chloride
CID 15921914
3-(2-acetylphenoxy)butan-2-one
CID 82312052
2-imino-1-(2-propan-2-yloxyphenyl)ethanone
CID 91538765
carbonic acid;bis(2-propan-2-yloxybenzoic acid)
CID 66629297
2-[[2-[2-[2-[[1,3-dioxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butan-2-yl]diazenyl]phenoxy]ethoxy]phenyl]diazenyl]-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide;ethane
CID 158207073
(2-propan-2-yloxyphenyl) 2-hydroxyacetate
CID 159030551
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
5,5,5-trifluoro-4-imino-2-(2-propan-2-yloxyphenyl)iminopentanoic acid
CID 90848988
2-amino-2-phenyl-1-(2-propan-2-yloxyphenyl)ethanone
CID 116551128
(2-methylsulfanylphenyl)-(2-propan-2-yloxyphenyl)methanone
CID 115788569
1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
CID 155743488
CID 89047150
CID 89047150

Frequently Asked Questions

What is the IUPAC name of 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione?
The IUPAC name of 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione (CID 91483530) is 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione.
What is the SMILES notation for 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione?
The canonical SMILES for 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione is CC(=O)C(/N=N/c1ccccc1OC(C)C)C(C)=O.
What is the InChIKey of 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione?
The InChIKey is QTVLNUPFTQFXFY-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9(2)19-13-8-6-5-7-12(13)15-16-14(10(3)17)11(4)18/h5-9,14H,1-4H3/b16-15+.
What are the key properties of 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione?
3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione has a molecular weight of 262.31 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propan-2-yloxyphenyl)diazenyl]pentane-2,4-dione is sourced from PubChem (CID 91483530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).