1-(5-bromo-2-methoxyphenyl)propan-1-one

C10H11BrO2 — CID 28829468

IUPAC1-(5-bromo-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrO2/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6H,3H2,1-2H3
InChIKeyDBRQHOMKSSHGQW-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.05
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)propan-1-one

1-(5-bromo-2-methoxyphenyl)propan-1-one (PubChem CID 28829468) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)propan-1-one
PubChem CID28829468
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(5-bromo-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1cc(Br)ccc1OC
InChIInChI=1S/C10H11BrO2/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6H,3H2,1-2H3
InChIKeyDBRQHOMKSSHGQW-UHFFFAOYSA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)propan-1-one (CID 28829468) is 1-(5-bromo-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)propan-1-one is CCC(=O)c1cc(Br)ccc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)propan-1-one?
The InChIKey is DBRQHOMKSSHGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-3-9(12)8-6-7(11)4-5-10(8)13-2/h4-6H,3H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)propan-1-one?
1-(5-bromo-2-methoxyphenyl)propan-1-one has a molecular weight of 243.10 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 28829468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).