8-bromo-3-methoxy-2,3-dihydrochromen-4-one

C10H9BrO3 — CID 130039350

IUPAC8-bromo-3-methoxy-2,3-dihydrochromen-4-one
SMILESCOC1COc2c(Br)cccc2C1=O
InChIInChI=1S/C10H9BrO3/c1-13-8-5-14-10-6(9(8)12)3-2-4-7(10)11/h2-4,8H,5H2,1H3
InChIKeySAASHUFKQJVMEY-UHFFFAOYSA-N
MW257.08 g/mol
LogP2.04
Rot. Bonds1

About 8-bromo-3-methoxy-2,3-dihydrochromen-4-one

8-bromo-3-methoxy-2,3-dihydrochromen-4-one (PubChem CID 130039350) has the molecular formula C10H9BrO3 and a molecular weight of 257.08 g/mol. Its IUPAC name is 8-bromo-3-methoxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name8-bromo-3-methoxy-2,3-dihydrochromen-4-one
PubChem CID130039350
Molecular FormulaC10H9BrO3
Molecular Weight257.08 g/mol
Exact Mass255.97
IUPAC Name8-bromo-3-methoxy-2,3-dihydrochromen-4-one
SMILESCOC1COc2c(Br)cccc2C1=O
InChIInChI=1S/C10H9BrO3/c1-13-8-5-14-10-6(9(8)12)3-2-4-7(10)11/h2-4,8H,5H2,1H3
InChIKeySAASHUFKQJVMEY-UHFFFAOYSA-N
XLogP2.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.08
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-methoxy-2,3-dihydrochromen-4-one?
The IUPAC name of 8-bromo-3-methoxy-2,3-dihydrochromen-4-one (CID 130039350) is 8-bromo-3-methoxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 8-bromo-3-methoxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 8-bromo-3-methoxy-2,3-dihydrochromen-4-one is COC1COc2c(Br)cccc2C1=O.
What is the InChIKey of 8-bromo-3-methoxy-2,3-dihydrochromen-4-one?
The InChIKey is SAASHUFKQJVMEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO3/c1-13-8-5-14-10-6(9(8)12)3-2-4-7(10)11/h2-4,8H,5H2,1H3.
What are the key properties of 8-bromo-3-methoxy-2,3-dihydrochromen-4-one?
8-bromo-3-methoxy-2,3-dihydrochromen-4-one has a molecular weight of 257.08 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-methoxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 130039350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).