8-bromo-2-prop-2-enyl-2H-chromene

C12H11BrO — CID 122231139

IUPAC8-bromo-2-prop-2-enyl-2H-chromene
SMILESC=CCC1C=Cc2cccc(Br)c2O1
InChIInChI=1S/C12H11BrO/c1-2-4-10-8-7-9-5-3-6-11(13)12(9)14-10/h2-3,5-8,10H,1,4H2
InChIKeyCCNDYATVXHJMNL-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.80
Rot. Bonds2

About 8-bromo-2-prop-2-enyl-2H-chromene

8-bromo-2-prop-2-enyl-2H-chromene (PubChem CID 122231139) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 8-bromo-2-prop-2-enyl-2H-chromene.

Molecular Properties

Compound Name8-bromo-2-prop-2-enyl-2H-chromene
PubChem CID122231139
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name8-bromo-2-prop-2-enyl-2H-chromene
SMILESC=CCC1C=Cc2cccc(Br)c2O1
InChIInChI=1S/C12H11BrO/c1-2-4-10-8-7-9-5-3-6-11(13)12(9)14-10/h2-3,5-8,10H,1,4H2
InChIKeyCCNDYATVXHJMNL-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-bromo-2-prop-2-enyl-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 8-bromo-2-prop-2-enyl-2H-chromene?
The IUPAC name of 8-bromo-2-prop-2-enyl-2H-chromene (CID 122231139) is 8-bromo-2-prop-2-enyl-2H-chromene.
What is the SMILES notation for 8-bromo-2-prop-2-enyl-2H-chromene?
The canonical SMILES for 8-bromo-2-prop-2-enyl-2H-chromene is C=CCC1C=Cc2cccc(Br)c2O1.
What is the InChIKey of 8-bromo-2-prop-2-enyl-2H-chromene?
The InChIKey is CCNDYATVXHJMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c1-2-4-10-8-7-9-5-3-6-11(13)12(9)14-10/h2-3,5-8,10H,1,4H2.
What are the key properties of 8-bromo-2-prop-2-enyl-2H-chromene?
8-bromo-2-prop-2-enyl-2H-chromene has a molecular weight of 251.12 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-prop-2-enyl-2H-chromene is sourced from PubChem (CID 122231139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).