6-bromo-3-(4-bromophenyl)-2H-chromene

C15H10Br2O — CID 3009216

IUPAC6-bromo-3-(4-bromophenyl)-2H-chromene
SMILESBrc1ccc(C2=Cc3cc(Br)ccc3OC2)cc1
InChIInChI=1S/C15H10Br2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyVSGNTARCERXWEF-UHFFFAOYSA-N
MW366.05 g/mol
LogP5.14
Rot. Bonds1

About 6-bromo-3-(4-bromophenyl)-2H-chromene

6-bromo-3-(4-bromophenyl)-2H-chromene (PubChem CID 3009216) has the molecular formula C15H10Br2O and a molecular weight of 366.05 g/mol. Its IUPAC name is 6-bromo-3-(4-bromophenyl)-2H-chromene.

Molecular Properties

Compound Name6-bromo-3-(4-bromophenyl)-2H-chromene
PubChem CID3009216
Molecular FormulaC15H10Br2O
Molecular Weight366.05 g/mol
Exact Mass363.91
IUPAC Name6-bromo-3-(4-bromophenyl)-2H-chromene
SMILESBrc1ccc(C2=Cc3cc(Br)ccc3OC2)cc1
InChIInChI=1S/C15H10Br2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2
InChIKeyVSGNTARCERXWEF-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.05
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-bromo-3-(4-bromophenyl)-2H-chromene 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-3-(4-bromophenyl)-2H-chromene?
The IUPAC name of 6-bromo-3-(4-bromophenyl)-2H-chromene (CID 3009216) is 6-bromo-3-(4-bromophenyl)-2H-chromene.
What is the SMILES notation for 6-bromo-3-(4-bromophenyl)-2H-chromene?
The canonical SMILES for 6-bromo-3-(4-bromophenyl)-2H-chromene is Brc1ccc(C2=Cc3cc(Br)ccc3OC2)cc1.
What is the InChIKey of 6-bromo-3-(4-bromophenyl)-2H-chromene?
The InChIKey is VSGNTARCERXWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2O/c16-13-3-1-10(2-4-13)12-7-11-8-14(17)5-6-15(11)18-9-12/h1-8H,9H2.
What are the key properties of 6-bromo-3-(4-bromophenyl)-2H-chromene?
6-bromo-3-(4-bromophenyl)-2H-chromene has a molecular weight of 366.05 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-bromophenyl)-2H-chromene is sourced from PubChem (CID 3009216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).