4-(bromomethyl)-7-hydroxychromen-2-one

C10H7BrO3 — CID 5465897

IUPAC4-(bromomethyl)-7-hydroxychromen-2-one
SMILESO=c1cc(CBr)c2ccc(O)cc2o1
InChIInChI=1S/C10H7BrO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChIKeyXFNVWGFZARBVBT-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.39
Rot. Bonds1

About 4-(bromomethyl)-7-hydroxychromen-2-one

4-(bromomethyl)-7-hydroxychromen-2-one (PubChem CID 5465897) has the molecular formula C10H7BrO3 and a molecular weight of 255.07 g/mol. Its IUPAC name is 4-(bromomethyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name4-(bromomethyl)-7-hydroxychromen-2-one
PubChem CID5465897
Molecular FormulaC10H7BrO3
Molecular Weight255.07 g/mol
Exact Mass253.96
IUPAC Name4-(bromomethyl)-7-hydroxychromen-2-one
SMILESO=c1cc(CBr)c2ccc(O)cc2o1
InChIInChI=1S/C10H7BrO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2
InChIKeyXFNVWGFZARBVBT-UHFFFAOYSA-N
XLogP2.39
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.39
H-Bond Donors ≤ 51
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

methyl 2-(7-hydroxy-2-oxochromen-4-yl)acetate
CID 5395514
7-hydroxy-4-octylchromen-2-one
CID 139771377
7-hydroxy-4-[[1-hydroxypropan-2-yl(methyl)amino]methyl]chromen-2-one
CID 112580823
4-[[ethyl(2-hydroxyethyl)amino]methyl]-7-hydroxychromen-2-one
CID 60685720
4-amino-7-hydroxychromen-2-one
CID 5403605
(2R)-2-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 83195243
(2S)-2-[(7-hydroxy-2-oxochromen-4-yl)methylamino]propanoic acid
CID 83193373
4-[[bis(furan-2-ylmethyl)amino]methyl]-7-hydroxychromen-2-one
CID 8841578
7-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]chromen-2-one
CID 174862975
7-hydroxy-4-[[(2-hydroxyphenyl)methyl-methylamino]methyl]chromen-2-one
CID 154798950
7-hydroxy-4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]chromen-2-one
CID 79390669
3-[(7-hydroxy-2-oxochromen-4-yl)methyl-methylamino]propanoic acid
CID 60987026

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-7-hydroxychromen-2-one?
The IUPAC name of 4-(bromomethyl)-7-hydroxychromen-2-one (CID 5465897) is 4-(bromomethyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 4-(bromomethyl)-7-hydroxychromen-2-one?
The canonical SMILES for 4-(bromomethyl)-7-hydroxychromen-2-one is O=c1cc(CBr)c2ccc(O)cc2o1.
What is the InChIKey of 4-(bromomethyl)-7-hydroxychromen-2-one?
The InChIKey is XFNVWGFZARBVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5H2.
What are the key properties of 4-(bromomethyl)-7-hydroxychromen-2-one?
4-(bromomethyl)-7-hydroxychromen-2-one has a molecular weight of 255.07 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 5465897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).