1-(4-bromophenoxy)propan-2-one

C9H9BrO2 — CID 14816053

IUPAC1-(4-bromophenoxy)propan-2-one
SMILESCC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C9H9BrO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyCFPFUJANAPAZSH-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-bromophenoxy)propan-2-one

1-(4-bromophenoxy)propan-2-one (PubChem CID 14816053) has the molecular formula C9H9BrO2 and a molecular weight of 229.07 g/mol. Its IUPAC name is 1-(4-bromophenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-bromophenoxy)propan-2-one
PubChem CID14816053
Molecular FormulaC9H9BrO2
Molecular Weight229.07 g/mol
Exact Mass227.98
IUPAC Name1-(4-bromophenoxy)propan-2-one
SMILESCC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C9H9BrO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
InChIKeyCFPFUJANAPAZSH-UHFFFAOYSA-N
XLogP2.42
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenoxy)propan-2-one?
The IUPAC name of 1-(4-bromophenoxy)propan-2-one (CID 14816053) is 1-(4-bromophenoxy)propan-2-one.
What is the SMILES notation for 1-(4-bromophenoxy)propan-2-one?
The canonical SMILES for 1-(4-bromophenoxy)propan-2-one is CC(=O)COc1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenoxy)propan-2-one?
The InChIKey is CFPFUJANAPAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3.
What are the key properties of 1-(4-bromophenoxy)propan-2-one?
1-(4-bromophenoxy)propan-2-one has a molecular weight of 229.07 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenoxy)propan-2-one is sourced from PubChem (CID 14816053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).