2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one

C11H9BrO3 — CID 11119117

IUPAC2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
SMILESCOc1ccc(-c2c(OC)c2=O)c(Br)c1
InChIInChI=1S/C11H9BrO3/c1-14-6-3-4-7(8(12)5-6)9-10(13)11(9)15-2/h3-5H,1-2H3
InChIKeyFFEURVJYIGVISC-UHFFFAOYSA-N
MW269.09 g/mol
LogP2.37
Rot. Bonds3

About 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one

2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one (PubChem CID 11119117) has the molecular formula C11H9BrO3 and a molecular weight of 269.09 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
PubChem CID11119117
Molecular FormulaC11H9BrO3
Molecular Weight269.09 g/mol
Exact Mass267.97
IUPAC Name2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one
SMILESCOc1ccc(-c2c(OC)c2=O)c(Br)c1
InChIInChI=1S/C11H9BrO3/c1-14-6-3-4-7(8(12)5-6)9-10(13)11(9)15-2/h3-5H,1-2H3
InChIKeyFFEURVJYIGVISC-UHFFFAOYSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5-(2-bromo-4-methoxyphenyl)furan-2-carbohydrazide
CID 50879299
3,6-dimethoxy-10H-anthracen-9-one
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one?
The IUPAC name of 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one (CID 11119117) is 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one?
The canonical SMILES for 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one is COc1ccc(-c2c(OC)c2=O)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one?
The InChIKey is FFEURVJYIGVISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrO3/c1-14-6-3-4-7(8(12)5-6)9-10(13)11(9)15-2/h3-5H,1-2H3.
What are the key properties of 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one?
2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one has a molecular weight of 269.09 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenyl)-3-methoxycycloprop-2-en-1-one is sourced from PubChem (CID 11119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).