5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran

C15H18Br2O — CID 75059138

IUPAC5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
SMILESCc1c(Br)cc2c(c1Br)OC1(C)C(C)CCC21C
InChIInChI=1S/C15H18Br2O/c1-8-5-6-14(3)10-7-11(16)9(2)12(17)13(10)18-15(8,14)4/h7-8H,5-6H2,1-4H3
InChIKeyQJXWRCBSVDRERL-UHFFFAOYSA-N
MW374.12 g/mol
LogP5.36
Rot. Bonds

About 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran

5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran (PubChem CID 75059138) has the molecular formula C15H18Br2O and a molecular weight of 374.12 g/mol. Its IUPAC name is 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran.

Molecular Properties

Compound Name5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
PubChem CID75059138
Molecular FormulaC15H18Br2O
Molecular Weight374.12 g/mol
Exact Mass371.97
IUPAC Name5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
SMILESCc1c(Br)cc2c(c1Br)OC1(C)C(C)CCC21C
InChIInChI=1S/C15H18Br2O/c1-8-5-6-14(3)10-7-11(16)9(2)12(17)13(10)18-15(8,14)4/h7-8H,5-6H2,1-4H3
InChIKeyQJXWRCBSVDRERL-UHFFFAOYSA-N
XLogP5.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.12
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The IUPAC name of 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran (CID 75059138) is 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran.
What is the SMILES notation for 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The canonical SMILES for 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran is Cc1c(Br)cc2c(c1Br)OC1(C)C(C)CCC21C.
What is the InChIKey of 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The InChIKey is QJXWRCBSVDRERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O/c1-8-5-6-14(3)10-7-11(16)9(2)12(17)13(10)18-15(8,14)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran has a molecular weight of 374.12 g/mol, XLogP of 5.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran is sourced from PubChem (CID 75059138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).