3-[(4-bromophenyl)methylidene]chromen-4-one

C16H11BrO2 — CID 915612

IUPAC3-[(4-bromophenyl)methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(Br)cc2)COc2ccccc21
InChIInChI=1S/C16H11BrO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2
InChIKeyAYZMBXVSUXNTKR-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.11
Rot. Bonds1

About 3-[(4-bromophenyl)methylidene]chromen-4-one

3-[(4-bromophenyl)methylidene]chromen-4-one (PubChem CID 915612) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methylidene]chromen-4-one.

Molecular Properties

Compound Name3-[(4-bromophenyl)methylidene]chromen-4-one
PubChem CID915612
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name3-[(4-bromophenyl)methylidene]chromen-4-one
SMILESO=C1C(=Cc2ccc(Br)cc2)COc2ccccc21
InChIInChI=1S/C16H11BrO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2
InChIKeyAYZMBXVSUXNTKR-UHFFFAOYSA-N
XLogP4.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methylidene]chromen-4-one?
The IUPAC name of 3-[(4-bromophenyl)methylidene]chromen-4-one (CID 915612) is 3-[(4-bromophenyl)methylidene]chromen-4-one.
What is the SMILES notation for 3-[(4-bromophenyl)methylidene]chromen-4-one?
The canonical SMILES for 3-[(4-bromophenyl)methylidene]chromen-4-one is O=C1C(=Cc2ccc(Br)cc2)COc2ccccc21.
What is the InChIKey of 3-[(4-bromophenyl)methylidene]chromen-4-one?
The InChIKey is AYZMBXVSUXNTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c17-13-7-5-11(6-8-13)9-12-10-19-15-4-2-1-3-14(15)16(12)18/h1-9H,10H2.
What are the key properties of 3-[(4-bromophenyl)methylidene]chromen-4-one?
3-[(4-bromophenyl)methylidene]chromen-4-one has a molecular weight of 315.17 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methylidene]chromen-4-one is sourced from PubChem (CID 915612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).