6-bromochromen-4-one

C9H5BrO2 — CID 548522

IUPAC6-bromochromen-4-one
SMILESO=c1ccoc2ccc(Br)cc12
InChIInChI=1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyXVNBWGGBXOJIDR-UHFFFAOYSA-N
MW225.04 g/mol
LogP2.56
Rot. Bonds

About 6-bromochromen-4-one

6-bromochromen-4-one (PubChem CID 548522) has the molecular formula C9H5BrO2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 6-bromochromen-4-one.

Molecular Properties

Compound Name6-bromochromen-4-one
PubChem CID548522
Molecular FormulaC9H5BrO2
Molecular Weight225.04 g/mol
Exact Mass223.95
IUPAC Name6-bromochromen-4-one
SMILESO=c1ccoc2ccc(Br)cc12
InChIInChI=1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H
InChIKeyXVNBWGGBXOJIDR-UHFFFAOYSA-N
XLogP2.56
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromochromen-4-one?
The IUPAC name of 6-bromochromen-4-one (CID 548522) is 6-bromochromen-4-one.
What is the SMILES notation for 6-bromochromen-4-one?
The canonical SMILES for 6-bromochromen-4-one is O=c1ccoc2ccc(Br)cc12.
What is the InChIKey of 6-bromochromen-4-one?
The InChIKey is XVNBWGGBXOJIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-5H.
What are the key properties of 6-bromochromen-4-one?
6-bromochromen-4-one has a molecular weight of 225.04 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromochromen-4-one is sourced from PubChem (CID 548522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).