4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol

C23H19NO4 — CID 88993589

IUPAC4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol
SMILESCOONc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O
InChIInChI=1S/C23H19NO4/c1-26-28-24-20-15-17(10-12-21(20)25)7-3-2-6-16-11-13-23-19(14-16)18-8-4-5-9-22(18)27-23/h2-15,24-25H,1H3/b6-2+,7-3+
InChIKeyWCBIHDLNEOIVCC-YPCIICBESA-N
MW373.41 g/mol
LogP5.92
Rot. Bonds6

About 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol

4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol (PubChem CID 88993589) has the molecular formula C23H19NO4 and a molecular weight of 373.41 g/mol. Its IUPAC name is 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol.

Molecular Properties

Compound Name4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol
PubChem CID88993589
Molecular FormulaC23H19NO4
Molecular Weight373.41 g/mol
Exact Mass373.13
IUPAC Name4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol
SMILESCOONc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O
InChIInChI=1S/C23H19NO4/c1-26-28-24-20-15-17(10-12-21(20)25)7-3-2-6-16-11-13-23-19(14-16)18-8-4-5-9-22(18)27-23/h2-15,24-25H,1H3/b6-2+,7-3+
InChIKeyWCBIHDLNEOIVCC-YPCIICBESA-N
XLogP5.92
TPSA63.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.41
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[5-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-hydroxyphenyl] formate
CID 58130846
4-[(E)-2-dibenzofuran-2-ylethenyl]-2-methylpyridine
CID 126725895
2-[(1Z,3Z)-penta-1,3-dienyl]xanthen-9-one
CID 145218621
1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one
CID 3123842
methyl dibenzofuran-2-carboxylate
CID 3702628
N-(1-dibenzofuran-2-ylethyl)hydroxylamine
CID 14234879
1-dibenzofuran-2-yloxydibenzofuran-2-ol
CID 135058246
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
2-prop-1-en-2-yldibenzofuran
CID 142504770
4-[(1E,3E)-4-(3,4-dimethoxyphenyl)buta-1,3-dienyl]-2-methoxyphenol
CID 87643823
(E)-3-dibenzofuran-2-yl-2-[(4-methylphenoxy)methyl]prop-2-enoic acid
CID 71530111
4-dibenzofuran-2-yl-3-methoxycarbonylpent-3-enoic acid
CID 54109960

Frequently Asked Questions

What is the IUPAC name of 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol?
The IUPAC name of 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol (CID 88993589) is 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol.
What is the SMILES notation for 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol?
The canonical SMILES for 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol is COONc1cc(/C=C/C=C/c2ccc3oc4ccccc4c3c2)ccc1O.
What is the InChIKey of 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol?
The InChIKey is WCBIHDLNEOIVCC-YPCIICBESA-N. The full InChI is InChI=1S/C23H19NO4/c1-26-28-24-20-15-17(10-12-21(20)25)7-3-2-6-16-11-13-23-19(14-16)18-8-4-5-9-22(18)27-23/h2-15,24-25H,1H3/b6-2+,7-3+.
What are the key properties of 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol?
4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol has a molecular weight of 373.41 g/mol, XLogP of 5.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1E,3E)-4-dibenzofuran-2-ylbuta-1,3-dienyl]-2-(methylperoxyamino)phenol is sourced from PubChem (CID 88993589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).