7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene

C13H15BrO2 — CID 77323991

IUPAC7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene
SMILESCC12COCCC1Cc1cc(Br)ccc1O2
InChIInChI=1S/C13H15BrO2/c1-13-8-15-5-4-10(13)6-9-7-11(14)2-3-12(9)16-13/h2-3,7,10H,4-6,8H2,1H3
InChIKeyQEOHCIYKMBUOEW-UHFFFAOYSA-N
MW283.16 g/mol
LogP3.18
Rot. Bonds

About 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene

7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene (PubChem CID 77323991) has the molecular formula C13H15BrO2 and a molecular weight of 283.16 g/mol. Its IUPAC name is 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene.

Molecular Properties

Compound Name7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene
PubChem CID77323991
Molecular FormulaC13H15BrO2
Molecular Weight283.16 g/mol
Exact Mass282.03
IUPAC Name7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene
SMILESCC12COCCC1Cc1cc(Br)ccc1O2
InChIInChI=1S/C13H15BrO2/c1-13-8-15-5-4-10(13)6-9-7-11(14)2-3-12(9)16-13/h2-3,7,10H,4-6,8H2,1H3
InChIKeyQEOHCIYKMBUOEW-UHFFFAOYSA-N
XLogP3.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.16
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene 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 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene?
The IUPAC name of 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene (CID 77323991) is 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene.
What is the SMILES notation for 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene?
The canonical SMILES for 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene is CC12COCCC1Cc1cc(Br)ccc1O2.
What is the InChIKey of 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene?
The InChIKey is QEOHCIYKMBUOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO2/c1-13-8-15-5-4-10(13)6-9-7-11(14)2-3-12(9)16-13/h2-3,7,10H,4-6,8H2,1H3.
What are the key properties of 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene?
7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene has a molecular weight of 283.16 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-10a-methyl-3,4,4a,5-tetrahydro-1H-pyrano[3,4-b]chromene is sourced from PubChem (CID 77323991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).