3,8-dibromo-2-phenylchromen-4-one

C15H8Br2O2 — CID 91664816

IUPAC3,8-dibromo-2-phenylchromen-4-one
SMILESO=c1c(Br)c(-c2ccccc2)oc2c(Br)cccc12
InChIInChI=1S/C15H8Br2O2/c16-11-8-4-7-10-13(18)12(17)14(19-15(10)11)9-5-2-1-3-6-9/h1-8H
InChIKeyIKBZKXJNEJDREO-UHFFFAOYSA-N
MW380.04 g/mol
LogP4.99
Rot. Bonds1

About 3,8-dibromo-2-phenylchromen-4-one

3,8-dibromo-2-phenylchromen-4-one (PubChem CID 91664816) has the molecular formula C15H8Br2O2 and a molecular weight of 380.04 g/mol. Its IUPAC name is 3,8-dibromo-2-phenylchromen-4-one.

Molecular Properties

Compound Name3,8-dibromo-2-phenylchromen-4-one
PubChem CID91664816
Molecular FormulaC15H8Br2O2
Molecular Weight380.04 g/mol
Exact Mass377.89
IUPAC Name3,8-dibromo-2-phenylchromen-4-one
SMILESO=c1c(Br)c(-c2ccccc2)oc2c(Br)cccc12
InChIInChI=1S/C15H8Br2O2/c16-11-8-4-7-10-13(18)12(17)14(19-15(10)11)9-5-2-1-3-6-9/h1-8H
InChIKeyIKBZKXJNEJDREO-UHFFFAOYSA-N
XLogP4.99
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.04
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,8-dibromo-2-phenylchromen-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

Related Compounds

1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
4-bromodibenzofuran;4-phenylaniline
CID 122673561
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
5-bromo-3,4-dimethylxanthen-9-one
CID 59287847
9-amino-6,8,10-tribromobenzo[a]xanthen-5-one
CID 132534180
3-methyl-8-(methylamino)-2-phenylchromen-4-one
CID 19972540
4-bromo-6-phenyldibenzofuran;4-phenyldibenzofuran
CID 158212345
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
5-acetyl-8-bromo-3-methyl-2-phenylchromen-4-one
CID 174321566
8-bromo-2-sulfanylchromen-4-one
CID 156876199
1,2,3,6-tetrabromodibenzofuran
CID 526230

Frequently Asked Questions

What is the IUPAC name of 3,8-dibromo-2-phenylchromen-4-one?
The IUPAC name of 3,8-dibromo-2-phenylchromen-4-one (CID 91664816) is 3,8-dibromo-2-phenylchromen-4-one.
What is the SMILES notation for 3,8-dibromo-2-phenylchromen-4-one?
The canonical SMILES for 3,8-dibromo-2-phenylchromen-4-one is O=c1c(Br)c(-c2ccccc2)oc2c(Br)cccc12.
What is the InChIKey of 3,8-dibromo-2-phenylchromen-4-one?
The InChIKey is IKBZKXJNEJDREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2O2/c16-11-8-4-7-10-13(18)12(17)14(19-15(10)11)9-5-2-1-3-6-9/h1-8H.
What are the key properties of 3,8-dibromo-2-phenylchromen-4-one?
3,8-dibromo-2-phenylchromen-4-one has a molecular weight of 380.04 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dibromo-2-phenylchromen-4-one is sourced from PubChem (CID 91664816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).