5-(bromomethyl)-7-methoxychromen-2-one

C11H9BrO3 — CID 11737276

IUPAC5-(bromomethyl)-7-methoxychromen-2-one
SMILESCOc1cc(CBr)c2ccc(=O)oc2c1
InChIInChI=1S/C11H9BrO3/c1-14-8-4-7(6-12)9-2-3-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKeyBIESMSFVMCSOKU-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.70
Rot. Bonds2

About 5-(bromomethyl)-7-methoxychromen-2-one

5-(bromomethyl)-7-methoxychromen-2-one (PubChem CID 11737276) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 5-(bromomethyl)-7-methoxychromen-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-7-methoxychromen-2-one
PubChem CID11737276
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name5-(bromomethyl)-7-methoxychromen-2-one
SMILESCOc1cc(CBr)c2ccc(=O)oc2c1
InChIInChI=1S/C11H9BrO3/c1-14-8-4-7(6-12)9-2-3-11(13)15-10(9)5-8/h2-5H,6H2,1H3
InChIKeyBIESMSFVMCSOKU-UHFFFAOYSA-N
XLogP2.70
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-7-methoxychromen-2-one;cyclohepta-2,4,6-trien-1-one
CID 139845956
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
7-methoxy-5-(3-methylbutoxy)chromen-2-one
CID 15411432
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
4-(bromomethyl)-7-hydroxychromen-2-one
CID 5465897
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
4-(bromomethyl)-7-methoxy-3-phosphanylchromen-2-one
CID 118609362

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-7-methoxychromen-2-one?
The IUPAC name of 5-(bromomethyl)-7-methoxychromen-2-one (CID 11737276) is 5-(bromomethyl)-7-methoxychromen-2-one.
What is the SMILES notation for 5-(bromomethyl)-7-methoxychromen-2-one?
The canonical SMILES for 5-(bromomethyl)-7-methoxychromen-2-one is COc1cc(CBr)c2ccc(=O)oc2c1.
What is the InChIKey of 5-(bromomethyl)-7-methoxychromen-2-one?
The InChIKey is BIESMSFVMCSOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-14-8-4-7(6-12)9-2-3-11(13)15-10(9)5-8/h2-5H,6H2,1H3.
What are the key properties of 5-(bromomethyl)-7-methoxychromen-2-one?
5-(bromomethyl)-7-methoxychromen-2-one has a molecular weight of 269.09 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-7-methoxychromen-2-one is sourced from PubChem (CID 11737276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).