6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one

C12H11BrO2 — CID 169476137

IUPAC6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(C=CCBr)cc21
InChIInChI=1S/C12H11BrO2/c13-6-1-2-9-3-4-12-10(8-9)11(14)5-7-15-12/h1-4,8H,5-7H2
InChIKeyUKQNGXRHFWXINL-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.06
Rot. Bonds2

About 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one

6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one (PubChem CID 169476137) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
PubChem CID169476137
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
SMILESO=C1CCOc2ccc(C=CCBr)cc21
InChIInChI=1S/C12H11BrO2/c13-6-1-2-9-3-4-12-10(8-9)11(14)5-7-15-12/h1-4,8H,5-7H2
InChIKeyUKQNGXRHFWXINL-UHFFFAOYSA-N
XLogP3.06
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one (CID 169476137) is 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one is O=C1CCOc2ccc(C=CCBr)cc21.
What is the InChIKey of 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one?
The InChIKey is UKQNGXRHFWXINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c13-6-1-2-9-3-4-12-10(8-9)11(14)5-7-15-12/h1-4,8H,5-7H2.
What are the key properties of 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one?
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one has a molecular weight of 267.12 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169476137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).