(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran

C15H19BrO — CID 11066347

IUPAC(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
SMILESCc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2
InChIInChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3/t10-,14-,15-/m0/s1
InChIKeyAZMIIVUEOLBHBL-LKTVYLICSA-N
MW295.22 g/mol
LogP4.60
Rot. Bonds

About (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran

(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran (PubChem CID 11066347) has the molecular formula C15H19BrO and a molecular weight of 295.22 g/mol. Its IUPAC name is (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran.

Molecular Properties

Compound Name(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
PubChem CID11066347
Molecular FormulaC15H19BrO
Molecular Weight295.22 g/mol
Exact Mass294.06
IUPAC Name(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran
SMILESCc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2
InChIInChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3/t10-,14-,15-/m0/s1
InChIKeyAZMIIVUEOLBHBL-LKTVYLICSA-N
XLogP4.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3S,3aS,8bS)-7-bromo-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 (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The IUPAC name of (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran (CID 11066347) is (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran.
What is the SMILES notation for (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The canonical SMILES for (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran is Cc1cc2c(cc1Br)[C@]1(C)CC[C@H](C)[C@]1(C)O2.
What is the InChIKey of (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
The InChIKey is AZMIIVUEOLBHBL-LKTVYLICSA-N. The full InChI is InChI=1S/C15H19BrO/c1-9-7-13-11(8-12(9)16)14(3)6-5-10(2)15(14,4)17-13/h7-8,10H,5-6H2,1-4H3/t10-,14-,15-/m0/s1.
What are the key properties of (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran?
(3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran has a molecular weight of 295.22 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3aS,8bS)-7-bromo-3,3a,6,8b-tetramethyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran is sourced from PubChem (CID 11066347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).