8-bromo-3-propan-2-ylchromen-4-one

C12H11BrO2 — CID 156767851

IUPAC8-bromo-3-propan-2-ylchromen-4-one
SMILESCC(C)c1coc2c(Br)cccc2c1=O
InChIInChI=1S/C12H11BrO2/c1-7(2)9-6-15-12-8(11(9)14)4-3-5-10(12)13/h3-7H,1-2H3
InChIKeyGRLUHGCJCXTGFX-UHFFFAOYSA-N
MW267.12 g/mol
LogP3.68
Rot. Bonds1

About 8-bromo-3-propan-2-ylchromen-4-one

8-bromo-3-propan-2-ylchromen-4-one (PubChem CID 156767851) has the molecular formula C12H11BrO2 and a molecular weight of 267.12 g/mol. Its IUPAC name is 8-bromo-3-propan-2-ylchromen-4-one.

Molecular Properties

Compound Name8-bromo-3-propan-2-ylchromen-4-one
PubChem CID156767851
Molecular FormulaC12H11BrO2
Molecular Weight267.12 g/mol
Exact Mass265.99
IUPAC Name8-bromo-3-propan-2-ylchromen-4-one
SMILESCC(C)c1coc2c(Br)cccc2c1=O
InChIInChI=1S/C12H11BrO2/c1-7(2)9-6-15-12-8(11(9)14)4-3-5-10(12)13/h3-7H,1-2H3
InChIKeyGRLUHGCJCXTGFX-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.12
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-propan-2-ylchromen-4-one?
The IUPAC name of 8-bromo-3-propan-2-ylchromen-4-one (CID 156767851) is 8-bromo-3-propan-2-ylchromen-4-one.
What is the SMILES notation for 8-bromo-3-propan-2-ylchromen-4-one?
The canonical SMILES for 8-bromo-3-propan-2-ylchromen-4-one is CC(C)c1coc2c(Br)cccc2c1=O.
What is the InChIKey of 8-bromo-3-propan-2-ylchromen-4-one?
The InChIKey is GRLUHGCJCXTGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO2/c1-7(2)9-6-15-12-8(11(9)14)4-3-5-10(12)13/h3-7H,1-2H3.
What are the key properties of 8-bromo-3-propan-2-ylchromen-4-one?
8-bromo-3-propan-2-ylchromen-4-one has a molecular weight of 267.12 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-propan-2-ylchromen-4-one is sourced from PubChem (CID 156767851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).