5-bromo-3,4-dihydro-2H-chromene

C9H9BrO — CID 22009964

IUPAC5-bromo-3,4-dihydro-2H-chromene
SMILESBrc1cccc2c1CCCO2
InChIInChI=1S/C9H9BrO/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5H,2-3,6H2
InChIKeyLHCOEOUYRDDIJP-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.77
Rot. Bonds

About 5-bromo-3,4-dihydro-2H-chromene

5-bromo-3,4-dihydro-2H-chromene (PubChem CID 22009964) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-2H-chromene
PubChem CID22009964
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name5-bromo-3,4-dihydro-2H-chromene
SMILESBrc1cccc2c1CCCO2
InChIInChI=1S/C9H9BrO/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5H,2-3,6H2
InChIKeyLHCOEOUYRDDIJP-UHFFFAOYSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-2H-chromene?
The IUPAC name of 5-bromo-3,4-dihydro-2H-chromene (CID 22009964) is 5-bromo-3,4-dihydro-2H-chromene.
What is the SMILES notation for 5-bromo-3,4-dihydro-2H-chromene?
The canonical SMILES for 5-bromo-3,4-dihydro-2H-chromene is Brc1cccc2c1CCCO2.
What is the InChIKey of 5-bromo-3,4-dihydro-2H-chromene?
The InChIKey is LHCOEOUYRDDIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-5H,2-3,6H2.
What are the key properties of 5-bromo-3,4-dihydro-2H-chromene?
5-bromo-3,4-dihydro-2H-chromene has a molecular weight of 213.07 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-2H-chromene is sourced from PubChem (CID 22009964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).