3-bromo-2,5-diethylchromen-4-one

C13H13BrO2 — CID 145057358

IUPAC3-bromo-2,5-diethylchromen-4-one
SMILESCCc1oc2cccc(CC)c2c(=O)c1Br
InChIInChI=1S/C13H13BrO2/c1-3-8-6-5-7-10-11(8)13(15)12(14)9(4-2)16-10/h5-7H,3-4H2,1-2H3
InChIKeyRYODSPYFXDGCBN-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.68
Rot. Bonds2

About 3-bromo-2,5-diethylchromen-4-one

3-bromo-2,5-diethylchromen-4-one (PubChem CID 145057358) has the molecular formula C13H13BrO2 and a molecular weight of 281.15 g/mol. Its IUPAC name is 3-bromo-2,5-diethylchromen-4-one.

Molecular Properties

Compound Name3-bromo-2,5-diethylchromen-4-one
PubChem CID145057358
Molecular FormulaC13H13BrO2
Molecular Weight281.15 g/mol
Exact Mass280.01
IUPAC Name3-bromo-2,5-diethylchromen-4-one
SMILESCCc1oc2cccc(CC)c2c(=O)c1Br
InChIInChI=1S/C13H13BrO2/c1-3-8-6-5-7-10-11(8)13(15)12(14)9(4-2)16-10/h5-7H,3-4H2,1-2H3
InChIKeyRYODSPYFXDGCBN-UHFFFAOYSA-N
XLogP3.68
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
CID 70447716
4-ethyl-2,3-dimethyl-1-benzofuran
CID 121007664
4-ethylxanthen-9-one
CID 15075530
4-ethyl-1,2-benzoxazol-3-one
CID 125426106
2-(2-ethyl-4-oxochromen-3-yl)acetic acid
CID 19096361
2-ethyl-5-fluoro-3-(2-fluorophenyl)chromen-4-one
CID 89154232
2-ethyl-4-oxochromene-3-carbonitrile
CID 102579893
2-bromo-1,3-diethylbenzene;formonitrile
CID 174727247
2-ethyl-5-fluoro-3-(4-fluorophenyl)chromen-4-one
CID 71465690
1,7-diethyldibenzofuran
CID 135251716
1-benzylxanthen-9-one
CID 18759523
2-ethyl-3-(4-fluorophenyl)chromen-4-one
CID 53234762

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,5-diethylchromen-4-one?
The IUPAC name of 3-bromo-2,5-diethylchromen-4-one (CID 145057358) is 3-bromo-2,5-diethylchromen-4-one.
What is the SMILES notation for 3-bromo-2,5-diethylchromen-4-one?
The canonical SMILES for 3-bromo-2,5-diethylchromen-4-one is CCc1oc2cccc(CC)c2c(=O)c1Br.
What is the InChIKey of 3-bromo-2,5-diethylchromen-4-one?
The InChIKey is RYODSPYFXDGCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrO2/c1-3-8-6-5-7-10-11(8)13(15)12(14)9(4-2)16-10/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-bromo-2,5-diethylchromen-4-one?
3-bromo-2,5-diethylchromen-4-one has a molecular weight of 281.15 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,5-diethylchromen-4-one is sourced from PubChem (CID 145057358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).