7-[(4-bromophenyl)methoxy]chromen-2-one

C16H11BrO3 — CID 2629406

IUPAC7-[(4-bromophenyl)methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1
InChIInChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
InChIKeyXBQHFKZKJXERFF-UHFFFAOYSA-N
MW331.17 g/mol
LogP4.13
Rot. Bonds3

About 7-[(4-bromophenyl)methoxy]chromen-2-one

7-[(4-bromophenyl)methoxy]chromen-2-one (PubChem CID 2629406) has the molecular formula C16H11BrO3 and a molecular weight of 331.17 g/mol. Its IUPAC name is 7-[(4-bromophenyl)methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[(4-bromophenyl)methoxy]chromen-2-one
PubChem CID2629406
Molecular FormulaC16H11BrO3
Molecular Weight331.17 g/mol
Exact Mass329.99
IUPAC Name7-[(4-bromophenyl)methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1
InChIInChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2
InChIKeyXBQHFKZKJXERFF-UHFFFAOYSA-N
XLogP4.13
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 7-[(4-bromophenyl)methoxy]chromen-2-one?
The IUPAC name of 7-[(4-bromophenyl)methoxy]chromen-2-one (CID 2629406) is 7-[(4-bromophenyl)methoxy]chromen-2-one.
What is the SMILES notation for 7-[(4-bromophenyl)methoxy]chromen-2-one?
The canonical SMILES for 7-[(4-bromophenyl)methoxy]chromen-2-one is O=c1ccc2ccc(OCc3ccc(Br)cc3)cc2o1.
What is the InChIKey of 7-[(4-bromophenyl)methoxy]chromen-2-one?
The InChIKey is XBQHFKZKJXERFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO3/c17-13-5-1-11(2-6-13)10-19-14-7-3-12-4-8-16(18)20-15(12)9-14/h1-9H,10H2.
What are the key properties of 7-[(4-bromophenyl)methoxy]chromen-2-one?
7-[(4-bromophenyl)methoxy]chromen-2-one has a molecular weight of 331.17 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-bromophenyl)methoxy]chromen-2-one is sourced from PubChem (CID 2629406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).