2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione

C18H10O3 — CID 67717361

IUPAC2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cccc3oc4ccccc4c23)=C1
InChIInChI=1S/C18H10O3/c19-11-8-9-15(20)14(10-11)12-5-3-7-17-18(12)13-4-1-2-6-16(13)21-17/h1-10H
InChIKeyLCGPRJUDVGGSSC-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.68
Rot. Bonds1

About 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione

2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 67717361) has the molecular formula C18H10O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID67717361
Molecular FormulaC18H10O3
Molecular Weight274.28 g/mol
Exact Mass274.06
IUPAC Name2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione
SMILESO=C1C=CC(=O)C(c2cccc3oc4ccccc4c23)=C1
InChIInChI=1S/C18H10O3/c19-11-8-9-15(20)14(10-11)12-5-3-7-17-18(12)13-4-1-2-6-16(13)21-17/h1-10H
InChIKeyLCGPRJUDVGGSSC-UHFFFAOYSA-N
XLogP3.68
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

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CID 168888509
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1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
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dibenzofuran;fluoren-1-one
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6,35-dioxanonacyclo[25.11.0.02,14.05,13.07,12.015,20.021,26.028,36.029,34]octatriaconta-1(27),2(14),3,5(13),7,9,11,15,17,19,21,23,25,28(36),29,31,33,37-octadecaene
CID 118655954
5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
1-(3-bromo-5-dibenzofuran-1-ylphenyl)dibenzofuran
CID 147609065
8-chloro-1-dibenzofuran-1-yldibenzofuran
CID 174292650
2-dibenzofuran-1-yl-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 163770145
1-[3,5-bis(3-phenylphenyl)phenyl]dibenzofuran
CID 154618828
2-dibenzofuran-1-yl-1-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]dibenzofuran
CID 134164781

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione (CID 67717361) is 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione is O=C1C=CC(=O)C(c2cccc3oc4ccccc4c23)=C1.
What is the InChIKey of 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is LCGPRJUDVGGSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O3/c19-11-8-9-15(20)14(10-11)12-5-3-7-17-18(12)13-4-1-2-6-16(13)21-17/h1-10H.
What are the key properties of 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione?
2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 274.28 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 67717361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).