6-bromo-2-(3-methylphenyl)chromen-4-one

C16H11BrO2 — CID 688751

IUPAC6-bromo-2-(3-methylphenyl)chromen-4-one
SMILESCc1cccc(-c2cc(=O)c3cc(Br)ccc3o2)c1
InChIInChI=1S/C16H11BrO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,1H3
InChIKeyVNLPVWHRKKWDQB-UHFFFAOYSA-N
MW315.17 g/mol
LogP4.53
Rot. Bonds1

About 6-bromo-2-(3-methylphenyl)chromen-4-one

6-bromo-2-(3-methylphenyl)chromen-4-one (PubChem CID 688751) has the molecular formula C16H11BrO2 and a molecular weight of 315.17 g/mol. Its IUPAC name is 6-bromo-2-(3-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-bromo-2-(3-methylphenyl)chromen-4-one
PubChem CID688751
Molecular FormulaC16H11BrO2
Molecular Weight315.17 g/mol
Exact Mass313.99
IUPAC Name6-bromo-2-(3-methylphenyl)chromen-4-one
SMILESCc1cccc(-c2cc(=O)c3cc(Br)ccc3o2)c1
InChIInChI=1S/C16H11BrO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,1H3
InChIKeyVNLPVWHRKKWDQB-UHFFFAOYSA-N
XLogP4.53
TPSA30.21 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 ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-(3-methylphenyl)chromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3-methylphenyl)chromen-4-one?
The IUPAC name of 6-bromo-2-(3-methylphenyl)chromen-4-one (CID 688751) is 6-bromo-2-(3-methylphenyl)chromen-4-one.
What is the SMILES notation for 6-bromo-2-(3-methylphenyl)chromen-4-one?
The canonical SMILES for 6-bromo-2-(3-methylphenyl)chromen-4-one is Cc1cccc(-c2cc(=O)c3cc(Br)ccc3o2)c1.
What is the InChIKey of 6-bromo-2-(3-methylphenyl)chromen-4-one?
The InChIKey is VNLPVWHRKKWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrO2/c1-10-3-2-4-11(7-10)16-9-14(18)13-8-12(17)5-6-15(13)19-16/h2-9H,1H3.
What are the key properties of 6-bromo-2-(3-methylphenyl)chromen-4-one?
6-bromo-2-(3-methylphenyl)chromen-4-one has a molecular weight of 315.17 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3-methylphenyl)chromen-4-one is sourced from PubChem (CID 688751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).