5-bromo-8-methoxy-3-methyl-2H-chromene

C11H11BrO2 — CID 171088493

IUPAC5-bromo-8-methoxy-3-methyl-2H-chromene
SMILESCOc1ccc(Br)c2c1OCC(C)=C2
InChIInChI=1S/C11H11BrO2/c1-7-5-8-9(12)3-4-10(13-2)11(8)14-6-7/h3-5H,6H2,1-2H3
InChIKeyXLAITDKDUPMXSU-UHFFFAOYSA-N
MW255.11 g/mol
LogP3.25
Rot. Bonds1

About 5-bromo-8-methoxy-3-methyl-2H-chromene

5-bromo-8-methoxy-3-methyl-2H-chromene (PubChem CID 171088493) has the molecular formula C11H11BrO2 and a molecular weight of 255.11 g/mol. Its IUPAC name is 5-bromo-8-methoxy-3-methyl-2H-chromene.

Molecular Properties

Compound Name5-bromo-8-methoxy-3-methyl-2H-chromene
PubChem CID171088493
Molecular FormulaC11H11BrO2
Molecular Weight255.11 g/mol
Exact Mass253.99
IUPAC Name5-bromo-8-methoxy-3-methyl-2H-chromene
SMILESCOc1ccc(Br)c2c1OCC(C)=C2
InChIInChI=1S/C11H11BrO2/c1-7-5-8-9(12)3-4-10(13-2)11(8)14-6-7/h3-5H,6H2,1-2H3
InChIKeyXLAITDKDUPMXSU-UHFFFAOYSA-N
XLogP3.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Bromo-4,5-dimethoxy-2-methylbenzene
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8-Methoxy-2,2-dimethyl-2H-1-benzopyran
CID 12934380
(2-Bromo-4,5-diethoxyphenyl)acetonitrile
CID 4962639
5-(Benzyloxy)-2-bromo-1,3-dimethylbenzene
CID 4270612
1,2-Bis(benzyloxy)-4-bromobenzene
CID 11280121
5-Benzyloxy-2-bromotoluene
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-8-methoxy-3-methyl-2H-chromene?
The IUPAC name of 5-bromo-8-methoxy-3-methyl-2H-chromene (CID 171088493) is 5-bromo-8-methoxy-3-methyl-2H-chromene.
What is the SMILES notation for 5-bromo-8-methoxy-3-methyl-2H-chromene?
The canonical SMILES for 5-bromo-8-methoxy-3-methyl-2H-chromene is COc1ccc(Br)c2c1OCC(C)=C2.
What is the InChIKey of 5-bromo-8-methoxy-3-methyl-2H-chromene?
The InChIKey is XLAITDKDUPMXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO2/c1-7-5-8-9(12)3-4-10(13-2)11(8)14-6-7/h3-5H,6H2,1-2H3.
What are the key properties of 5-bromo-8-methoxy-3-methyl-2H-chromene?
5-bromo-8-methoxy-3-methyl-2H-chromene has a molecular weight of 255.11 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-8-methoxy-3-methyl-2H-chromene is sourced from PubChem (CID 171088493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).