6-bromo-2-methoxychromen-4-one

C10H7BrO3 — CID 54016071

IUPAC6-bromo-2-methoxychromen-4-one
SMILESCOc1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C10H7BrO3/c1-13-10-5-8(12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3
InChIKeyKVSHNHAHAQDKDT-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.56
Rot. Bonds1

About 6-bromo-2-methoxychromen-4-one

6-bromo-2-methoxychromen-4-one (PubChem CID 54016071) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-2-methoxychromen-4-one.

Molecular Properties

Compound Name6-bromo-2-methoxychromen-4-one
PubChem CID54016071
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name6-bromo-2-methoxychromen-4-one
SMILESCOc1cc(=O)c2cc(Br)ccc2o1
InChIInChI=1S/C10H7BrO3/c1-13-10-5-8(12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3
InChIKeyKVSHNHAHAQDKDT-UHFFFAOYSA-N
XLogP2.56
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxychromen-4-one?
The IUPAC name of 6-bromo-2-methoxychromen-4-one (CID 54016071) is 6-bromo-2-methoxychromen-4-one.
What is the SMILES notation for 6-bromo-2-methoxychromen-4-one?
The canonical SMILES for 6-bromo-2-methoxychromen-4-one is COc1cc(=O)c2cc(Br)ccc2o1.
What is the InChIKey of 6-bromo-2-methoxychromen-4-one?
The InChIKey is KVSHNHAHAQDKDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c1-13-10-5-8(12)7-4-6(11)2-3-9(7)14-10/h2-5H,1H3.
What are the key properties of 6-bromo-2-methoxychromen-4-one?
6-bromo-2-methoxychromen-4-one has a molecular weight of 255.07 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxychromen-4-one is sourced from PubChem (CID 54016071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).