2-bromo-4,4-dimethylchromene

C11H11BrO — CID 86260183

IUPAC2-bromo-4,4-dimethylchromene
SMILESCC1(C)C=C(Br)Oc2ccccc21
InChIInChI=1S/C11H11BrO/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyQGFLLPNJIKPXSV-UHFFFAOYSA-N
MW239.11 g/mol
LogP3.59
Rot. Bonds

About 2-bromo-4,4-dimethylchromene

2-bromo-4,4-dimethylchromene (PubChem CID 86260183) has the molecular formula C11H11BrO and a molecular weight of 239.11 g/mol. Its IUPAC name is 2-bromo-4,4-dimethylchromene.

Molecular Properties

Compound Name2-bromo-4,4-dimethylchromene
PubChem CID86260183
Molecular FormulaC11H11BrO
Molecular Weight239.11 g/mol
Exact Mass238.00
IUPAC Name2-bromo-4,4-dimethylchromene
SMILESCC1(C)C=C(Br)Oc2ccccc21
InChIInChI=1S/C11H11BrO/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3
InChIKeyQGFLLPNJIKPXSV-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.11
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,4-dimethylchromene?
The IUPAC name of 2-bromo-4,4-dimethylchromene (CID 86260183) is 2-bromo-4,4-dimethylchromene.
What is the SMILES notation for 2-bromo-4,4-dimethylchromene?
The canonical SMILES for 2-bromo-4,4-dimethylchromene is CC1(C)C=C(Br)Oc2ccccc21.
What is the InChIKey of 2-bromo-4,4-dimethylchromene?
The InChIKey is QGFLLPNJIKPXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO/c1-11(2)7-10(12)13-9-6-4-3-5-8(9)11/h3-7H,1-2H3.
What are the key properties of 2-bromo-4,4-dimethylchromene?
2-bromo-4,4-dimethylchromene has a molecular weight of 239.11 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,4-dimethylchromene is sourced from PubChem (CID 86260183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).