4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

C18H11BrO4 — CID 4919806

IUPAC4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESO=C1CC(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C18H11BrO4/c19-11-7-5-10(6-8-11)13-9-15(20)23-17-12-3-1-2-4-14(12)22-18(21)16(13)17/h1-8,13H,9H2
InChIKeyUYPBVTFYFDBTNT-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.00
Rot. Bonds1

About 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (PubChem CID 4919806) has the molecular formula C18H11BrO4 and a molecular weight of 371.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
PubChem CID4919806
Molecular FormulaC18H11BrO4
Molecular Weight371.19 g/mol
Exact Mass369.98
IUPAC Name4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESO=C1CC(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1
InChIInChI=1S/C18H11BrO4/c19-11-7-5-10(6-8-11)13-9-15(20)23-17-12-3-1-2-4-14(12)22-18(21)16(13)17/h1-8,13H,9H2
InChIKeyUYPBVTFYFDBTNT-UHFFFAOYSA-N
XLogP4.00
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione 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 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (CID 4919806) is 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is O=C1CC(c2ccc(Br)cc2)c2c(c3ccccc3oc2=O)O1.
What is the InChIKey of 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The InChIKey is UYPBVTFYFDBTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrO4/c19-11-7-5-10(6-8-11)13-9-15(20)23-17-12-3-1-2-4-14(12)22-18(21)16(13)17/h1-8,13H,9H2.
What are the key properties of 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione has a molecular weight of 371.19 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 4919806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).