9-bromobenzo[c]chromen-6-one

C13H7BrO2 — CID 102428909

IUPAC9-bromobenzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2cc(Br)ccc12
InChIInChI=1S/C13H7BrO2/c14-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)15/h1-7H
InChIKeyRUEFZPMHUXSZQC-UHFFFAOYSA-N
MW275.10 g/mol
LogP3.71
Rot. Bonds

About 9-bromobenzo[c]chromen-6-one

9-bromobenzo[c]chromen-6-one (PubChem CID 102428909) has the molecular formula C13H7BrO2 and a molecular weight of 275.10 g/mol. Its IUPAC name is 9-bromobenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-bromobenzo[c]chromen-6-one
PubChem CID102428909
Molecular FormulaC13H7BrO2
Molecular Weight275.10 g/mol
Exact Mass273.96
IUPAC Name9-bromobenzo[c]chromen-6-one
SMILESO=c1oc2ccccc2c2cc(Br)ccc12
InChIInChI=1S/C13H7BrO2/c14-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)15/h1-7H
InChIKeyRUEFZPMHUXSZQC-UHFFFAOYSA-N
XLogP3.71
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[c]chromen-6-one?
The IUPAC name of 9-bromobenzo[c]chromen-6-one (CID 102428909) is 9-bromobenzo[c]chromen-6-one.
What is the SMILES notation for 9-bromobenzo[c]chromen-6-one?
The canonical SMILES for 9-bromobenzo[c]chromen-6-one is O=c1oc2ccccc2c2cc(Br)ccc12.
What is the InChIKey of 9-bromobenzo[c]chromen-6-one?
The InChIKey is RUEFZPMHUXSZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO2/c14-8-5-6-10-11(7-8)9-3-1-2-4-12(9)16-13(10)15/h1-7H.
What are the key properties of 9-bromobenzo[c]chromen-6-one?
9-bromobenzo[c]chromen-6-one has a molecular weight of 275.10 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[c]chromen-6-one is sourced from PubChem (CID 102428909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).