6-bromo-2H-chromene

C9H7BrO — CID 10242241

IUPAC6-bromo-2H-chromene
SMILESBrc1ccc2c(c1)C=CCO2
InChIInChI=1S/C9H7BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6H,5H2
InChIKeyYTNWANXDKHOVBF-UHFFFAOYSA-N
MW211.06 g/mol
LogP2.85
Rot. Bonds

About 6-bromo-2H-chromene

6-bromo-2H-chromene (PubChem CID 10242241) has the molecular formula C9H7BrO and a molecular weight of 211.06 g/mol. Its IUPAC name is 6-bromo-2H-chromene.

Molecular Properties

Compound Name6-bromo-2H-chromene
PubChem CID10242241
Molecular FormulaC9H7BrO
Molecular Weight211.06 g/mol
Exact Mass209.97
IUPAC Name6-bromo-2H-chromene
SMILESBrc1ccc2c(c1)C=CCO2
InChIInChI=1S/C9H7BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6H,5H2
InChIKeyYTNWANXDKHOVBF-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.06
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2H-chromene?
The IUPAC name of 6-bromo-2H-chromene (CID 10242241) is 6-bromo-2H-chromene.
What is the SMILES notation for 6-bromo-2H-chromene?
The canonical SMILES for 6-bromo-2H-chromene is Brc1ccc2c(c1)C=CCO2.
What is the InChIKey of 6-bromo-2H-chromene?
The InChIKey is YTNWANXDKHOVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6H,5H2.
What are the key properties of 6-bromo-2H-chromene?
6-bromo-2H-chromene has a molecular weight of 211.06 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2H-chromene is sourced from PubChem (CID 10242241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).