8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

C13H15BrO — CID 139297124

IUPAC8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC1CCC2Oc3ccc(Br)cc3C2C1
InChIInChI=1S/C13H15BrO/c1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyZGSIWILQJOGKFH-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.11
Rot. Bonds

About 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran

8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (PubChem CID 139297124) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.

Molecular Properties

Compound Name8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
PubChem CID139297124
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
SMILESCC1CCC2Oc3ccc(Br)cc3C2C1
InChIInChI=1S/C13H15BrO/c1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h3,5,7-8,10,12H,2,4,6H2,1H3
InChIKeyZGSIWILQJOGKFH-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-6-bromo-2-(4-methylcyclohexyl)-3,4-dihydro-2H-chromen-4-ol
CID 104951316
6-bromo-2-(5-methyloxolan-2-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715676
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-ol
CID 104951380
(4R)-6-bromo-2-cyclopropyl-3,4-dihydro-2H-chromen-4-amine
CID 104947533
(4S)-6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-ol
CID 104951252
6-bromo-2-(oxolan-3-yl)-3,4-dihydro-2H-chromen-4-ol
CID 114715586
(1S,9R)-4,12-dibromo-8,16,17-trioxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 1226589
6-bromo-2-cycloheptyl-3,4-dihydro-2H-chromen-4-amine
CID 114710103
2,8-diiodo-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 146532092
5-bromo-9-(8-bromo-1,2,3,4,4a,9b-hexahydrodibenzofuran-2-yl)-1,9,11-triazatetracyclo[8.7.0.02,8.012,17]heptadec-10-ene
CID 129109411
(4R)-6-bromo-2-cyclohex-3-en-1-yl-3,4-dihydro-2H-chromen-4-ol
CID 104951328
6-bromo-2-(oxan-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709987

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The IUPAC name of 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran (CID 139297124) is 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran.
What is the SMILES notation for 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The canonical SMILES for 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is CC1CCC2Oc3ccc(Br)cc3C2C1.
What is the InChIKey of 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
The InChIKey is ZGSIWILQJOGKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-8-2-4-12-10(6-8)11-7-9(14)3-5-13(11)15-12/h3,5,7-8,10,12H,2,4,6H2,1H3.
What are the key properties of 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran?
8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran has a molecular weight of 267.17 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran is sourced from PubChem (CID 139297124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).