2-(dibromomethyl)-3-methylchromen-4-one

C11H8Br2O2 — CID 642747

IUPAC2-(dibromomethyl)-3-methylchromen-4-one
SMILESCc1c(C(Br)Br)oc2ccccc2c1=O
InChIInChI=1S/C11H8Br2O2/c1-6-9(14)7-4-2-3-5-8(7)15-10(6)11(12)13/h2-5,11H,1H3
InChIKeyAAGMIIKBEZDNNS-UHFFFAOYSA-N
MW331.99 g/mol
LogP3.89
Rot. Bonds1

About 2-(dibromomethyl)-3-methylchromen-4-one

2-(dibromomethyl)-3-methylchromen-4-one (PubChem CID 642747) has the molecular formula C11H8Br2O2 and a molecular weight of 331.99 g/mol. Its IUPAC name is 2-(dibromomethyl)-3-methylchromen-4-one.

Molecular Properties

Compound Name2-(dibromomethyl)-3-methylchromen-4-one
PubChem CID642747
Molecular FormulaC11H8Br2O2
Molecular Weight331.99 g/mol
Exact Mass329.89
IUPAC Name2-(dibromomethyl)-3-methylchromen-4-one
SMILESCc1c(C(Br)Br)oc2ccccc2c1=O
InChIInChI=1S/C11H8Br2O2/c1-6-9(14)7-4-2-3-5-8(7)15-10(6)11(12)13/h2-5,11H,1H3
InChIKeyAAGMIIKBEZDNNS-UHFFFAOYSA-N
XLogP3.89
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.99
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)-3-methylchromen-4-one?
The IUPAC name of 2-(dibromomethyl)-3-methylchromen-4-one (CID 642747) is 2-(dibromomethyl)-3-methylchromen-4-one.
What is the SMILES notation for 2-(dibromomethyl)-3-methylchromen-4-one?
The canonical SMILES for 2-(dibromomethyl)-3-methylchromen-4-one is Cc1c(C(Br)Br)oc2ccccc2c1=O.
What is the InChIKey of 2-(dibromomethyl)-3-methylchromen-4-one?
The InChIKey is AAGMIIKBEZDNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2O2/c1-6-9(14)7-4-2-3-5-8(7)15-10(6)11(12)13/h2-5,11H,1H3.
What are the key properties of 2-(dibromomethyl)-3-methylchromen-4-one?
2-(dibromomethyl)-3-methylchromen-4-one has a molecular weight of 331.99 g/mol, XLogP of 3.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)-3-methylchromen-4-one is sourced from PubChem (CID 642747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).