3-(4-bromophenyl)-7-hydroxychromen-2-one

C15H9BrO3 — CID 5393163

IUPAC3-(4-bromophenyl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKeyQMKNKUCTQSRDGU-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.93
Rot. Bonds1

About 3-(4-bromophenyl)-7-hydroxychromen-2-one

3-(4-bromophenyl)-7-hydroxychromen-2-one (PubChem CID 5393163) has the molecular formula C15H9BrO3 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-hydroxychromen-2-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-hydroxychromen-2-one
PubChem CID5393163
Molecular FormulaC15H9BrO3
Molecular Weight317.14 g/mol
Exact Mass315.97
IUPAC Name3-(4-bromophenyl)-7-hydroxychromen-2-one
SMILESO=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1
InChIInChI=1S/C15H9BrO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H
InChIKeyQMKNKUCTQSRDGU-UHFFFAOYSA-N
XLogP3.93
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-hydroxychromen-2-one?
The IUPAC name of 3-(4-bromophenyl)-7-hydroxychromen-2-one (CID 5393163) is 3-(4-bromophenyl)-7-hydroxychromen-2-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-hydroxychromen-2-one?
The canonical SMILES for 3-(4-bromophenyl)-7-hydroxychromen-2-one is O=c1oc2cc(O)ccc2cc1-c1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)-7-hydroxychromen-2-one?
The InChIKey is QMKNKUCTQSRDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrO3/c16-11-4-1-9(2-5-11)13-7-10-3-6-12(17)8-14(10)19-15(13)18/h1-8,17H.
What are the key properties of 3-(4-bromophenyl)-7-hydroxychromen-2-one?
3-(4-bromophenyl)-7-hydroxychromen-2-one has a molecular weight of 317.14 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-hydroxychromen-2-one is sourced from PubChem (CID 5393163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).