8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol

C10H11BrO3 — CID 104831142

IUPAC8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(Br)c2c(c1)C(O)CCO2
InChIInChI=1S/C10H11BrO3/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9,12H,2-3H2,1H3
InChIKeyYDAWECUMYZOYIW-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.27
Rot. Bonds1

About 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol

8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol (PubChem CID 104831142) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
PubChem CID104831142
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol
SMILESCOc1cc(Br)c2c(c1)C(O)CCO2
InChIInChI=1S/C10H11BrO3/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9,12H,2-3H2,1H3
InChIKeyYDAWECUMYZOYIW-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol (CID 104831142) is 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol is COc1cc(Br)c2c(c1)C(O)CCO2.
What is the InChIKey of 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is YDAWECUMYZOYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-6-4-7-9(12)2-3-14-10(7)8(11)5-6/h4-5,9,12H,2-3H2,1H3.
What are the key properties of 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol?
8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 259.10 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-methoxy-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 104831142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).