1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one

C23H16O2 — CID 3123842

IUPAC1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C23H16O2/c24-21(12-6-4-10-17-8-2-1-3-9-17)18-14-15-23-20(16-18)19-11-5-7-13-22(19)25-23/h1-16H
InChIKeyKOHUYFNRWVBNAF-UHFFFAOYSA-N
MW324.38 g/mol
LogP6.04
Rot. Bonds4

About 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one

1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one (PubChem CID 3123842) has the molecular formula C23H16O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one
PubChem CID3123842
Molecular FormulaC23H16O2
Molecular Weight324.38 g/mol
Exact Mass324.12
IUPAC Name1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one
SMILESO=C(C=CC=Cc1ccccc1)c1ccc2oc3ccccc3c2c1
InChIInChI=1S/C23H16O2/c24-21(12-6-4-10-17-8-2-1-3-9-17)18-14-15-23-20(16-18)19-11-5-7-13-22(19)25-23/h1-16H
InChIKeyKOHUYFNRWVBNAF-UHFFFAOYSA-N
XLogP6.04
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.38
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

[4-(dibenzofuran-2-carbonyl)phenyl]-dibenzofuran-2-ylmethanone
CID 71375763
(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751
1-dibenzofuran-2-yl-2-phenylethanone
CID 15691957
1-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-6-yl)ethanone
CID 170226916
methyl dibenzofuran-2-carboxylate
CID 3702628
(2E,4E)-1-(4-bromo-3-nitrophenyl)-5-phenylpenta-2,4-dien-1-one
CID 53376644
(2E,4E)-1-(4-chloro-3-nitrophenyl)-5-phenylpenta-2,4-dien-1-one
CID 53376429
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
1-dibenzofuran-2-yl-2-methylpropan-1-one;ethane
CID 170789790
dibenzofuran-2-yl-(5-methylfuran-3-yl)methanone
CID 114819411

Frequently Asked Questions

What is the IUPAC name of 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one (CID 3123842) is 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one is O=C(C=CC=Cc1ccccc1)c1ccc2oc3ccccc3c2c1.
What is the InChIKey of 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one?
The InChIKey is KOHUYFNRWVBNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O2/c24-21(12-6-4-10-17-8-2-1-3-9-17)18-14-15-23-20(16-18)19-11-5-7-13-22(19)25-23/h1-16H.
What are the key properties of 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one?
1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one has a molecular weight of 324.38 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dibenzofuran-2-yl-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 3123842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).