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

C9H9BrO — CID 10856814

IUPAC6-bromo-3,4-dihydro-2H-chromene
SMILESBrc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyKPFDABVKWKOIME-UHFFFAOYSA-N
MW213.07 g/mol
LogP2.77
Rot. Bonds

About 6-bromo-3,4-dihydro-2H-chromene

6-bromo-3,4-dihydro-2H-chromene (PubChem CID 10856814) has the molecular formula C9H9BrO and a molecular weight of 213.07 g/mol. Its IUPAC name is 6-bromo-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-bromo-3,4-dihydro-2H-chromene
PubChem CID10856814
Molecular FormulaC9H9BrO
Molecular Weight213.07 g/mol
Exact Mass211.98
IUPAC Name6-bromo-3,4-dihydro-2H-chromene
SMILESBrc1ccc2c(c1)CCCO2
InChIInChI=1S/C9H9BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2
InChIKeyKPFDABVKWKOIME-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 6-bromo-3,4-dihydro-2H-chromene?
The IUPAC name of 6-bromo-3,4-dihydro-2H-chromene (CID 10856814) is 6-bromo-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-bromo-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-bromo-3,4-dihydro-2H-chromene is Brc1ccc2c(c1)CCCO2.
What is the InChIKey of 6-bromo-3,4-dihydro-2H-chromene?
The InChIKey is KPFDABVKWKOIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO/c10-8-3-4-9-7(6-8)2-1-5-11-9/h3-4,6H,1-2,5H2.
What are the key properties of 6-bromo-3,4-dihydro-2H-chromene?
6-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 6-bromo-3,4-dihydro-2H-chromene is sourced from PubChem (CID 10856814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).