6-bromo-4-phenyl-3,4-dihydrochromen-2-one

C15H11BrO2 — CID 2924973

IUPAC6-bromo-4-phenyl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccccc2)c2cc(Br)ccc2O1
InChIInChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyKFKFQGCDFMGUCH-UHFFFAOYSA-N
MW303.15 g/mol
LogP3.89
Rot. Bonds1

About 6-bromo-4-phenyl-3,4-dihydrochromen-2-one

6-bromo-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 2924973) has the molecular formula C15H11BrO2 and a molecular weight of 303.15 g/mol. Its IUPAC name is 6-bromo-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6-bromo-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID2924973
Molecular FormulaC15H11BrO2
Molecular Weight303.15 g/mol
Exact Mass301.99
IUPAC Name6-bromo-4-phenyl-3,4-dihydrochromen-2-one
SMILESO=C1CC(c2ccccc2)c2cc(Br)ccc2O1
InChIInChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2
InChIKeyKFKFQGCDFMGUCH-UHFFFAOYSA-N
XLogP3.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of 6-bromo-4-phenyl-3,4-dihydrochromen-2-one (CID 2924973) is 6-bromo-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6-bromo-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 6-bromo-4-phenyl-3,4-dihydrochromen-2-one is O=C1CC(c2ccccc2)c2cc(Br)ccc2O1.
What is the InChIKey of 6-bromo-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is KFKFQGCDFMGUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2.
What are the key properties of 6-bromo-4-phenyl-3,4-dihydrochromen-2-one?
6-bromo-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 303.15 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 6-bromo-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 2924973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).