8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one

C15H17BrO2 — CID 134849289

IUPAC8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one
SMILESCC1(C)CC(=O)C2Oc3ccc(Br)cc3C2(C)C1
InChIInChI=1S/C15H17BrO2/c1-14(2)7-11(17)13-15(3,8-14)10-6-9(16)4-5-12(10)18-13/h4-6,13H,7-8H2,1-3H3
InChIKeyICNIZFBIDGSFGP-UHFFFAOYSA-N
MW309.20 g/mol
LogP3.86
Rot. Bonds

About 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one

8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one (PubChem CID 134849289) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one.

Molecular Properties

Compound Name8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one
PubChem CID134849289
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one
SMILESCC1(C)CC(=O)C2Oc3ccc(Br)cc3C2(C)C1
InChIInChI=1S/C15H17BrO2/c1-14(2)7-11(17)13-15(3,8-14)10-6-9(16)4-5-12(10)18-13/h4-6,13H,7-8H2,1-3H3
InChIKeyICNIZFBIDGSFGP-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 68879903
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5-bromo-1,1,3,3-tetramethylisoindol-2-ium 2-oxide
CID 155906482
6-bromo-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
CID 22568885
(5aR,6aR,12aR,13aR)-2,10-dibromo-6,6-dimethyl-5a,6a,12,12a,13a,14-hexahydrochromeno[3,2-b]xanthen-13-one
CID 70621199
2-[(3-bromophenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione
CID 1274356
(1S,9S)-14-bromo-5,5,9-trimethyl-8,10-dioxatetracyclo[7.7.1.02,7.011,16]heptadeca-2(7),11(16),12,14-tetraen-3-one
CID 102507597
3,3,5-tribromo-2H-inden-1-one
CID 164519689
3-bromo-8-cyclohexyl-8-methylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 146324496
(2'R)-2-amino-6'-bromo-2'-methyl-2'-phenylspiro[1,5-dihydropyrimidine-4,4'-3H-chromene]-6-one
CID 87298473
7-bromo-1',1',5'-trimethylspiro[3H-chromene-2,3'-cyclohexane]-4-one
CID 114673173
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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one?
The IUPAC name of 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one (CID 134849289) is 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one.
What is the SMILES notation for 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one?
The canonical SMILES for 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one is CC1(C)CC(=O)C2Oc3ccc(Br)cc3C2(C)C1.
What is the InChIKey of 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one?
The InChIKey is ICNIZFBIDGSFGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-14(2)7-11(17)13-15(3,8-14)10-6-9(16)4-5-12(10)18-13/h4-6,13H,7-8H2,1-3H3.
What are the key properties of 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one?
8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one has a molecular weight of 309.20 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,2,9b-trimethyl-3,4a-dihydro-1H-dibenzofuran-4-one is sourced from PubChem (CID 134849289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).