1-(4-bromo-2-ethylphenoxy)propan-2-one

C11H13BrO2 — CID 58963157

IUPAC1-(4-bromo-2-ethylphenoxy)propan-2-one
SMILESCCc1cc(Br)ccc1OCC(C)=O
InChIInChI=1S/C11H13BrO2/c1-3-9-6-10(12)4-5-11(9)14-7-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyBIVQFUGSVRHCMM-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.98
Rot. Bonds4

About 1-(4-bromo-2-ethylphenoxy)propan-2-one

1-(4-bromo-2-ethylphenoxy)propan-2-one (PubChem CID 58963157) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenoxy)propan-2-one
PubChem CID58963157
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-(4-bromo-2-ethylphenoxy)propan-2-one
SMILESCCc1cc(Br)ccc1OCC(C)=O
InChIInChI=1S/C11H13BrO2/c1-3-9-6-10(12)4-5-11(9)14-7-8(2)13/h4-6H,3,7H2,1-2H3
InChIKeyBIVQFUGSVRHCMM-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-ethylphenoxy)-N-(3,5-dimethylphenyl)acetamide
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2-(4-bromo-2-ethylphenoxy)-N-cyclododecylacetamide
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2-[4-bromo-2-(hydroxymethyl)phenoxy]acetic acid
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2-(5-bromo-2-ethylphenoxy)acetic acid
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4-[(4-bromo-2-ethylphenoxy)methyl]benzoic acid
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2-(4-bromo-2-ethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 19202117
4-bromo-2-ethyl-1-phenylmethoxybenzene;ethane
CID 144758228
2-[4-bromo-2-(propylaminomethyl)phenoxy]acetamide;hydrochloride
CID 17053780
1-(2,4-dibromophenoxy)butan-2-one
CID 62038524
2-(4-bromo-2-methylphenoxy)acetamide
CID 803456
2-(4-bromo-2-ethylphenoxy)-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
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CID 91896517

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenoxy)propan-2-one?
The IUPAC name of 1-(4-bromo-2-ethylphenoxy)propan-2-one (CID 58963157) is 1-(4-bromo-2-ethylphenoxy)propan-2-one.
What is the SMILES notation for 1-(4-bromo-2-ethylphenoxy)propan-2-one?
The canonical SMILES for 1-(4-bromo-2-ethylphenoxy)propan-2-one is CCc1cc(Br)ccc1OCC(C)=O.
What is the InChIKey of 1-(4-bromo-2-ethylphenoxy)propan-2-one?
The InChIKey is BIVQFUGSVRHCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-3-9-6-10(12)4-5-11(9)14-7-8(2)13/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-(4-bromo-2-ethylphenoxy)propan-2-one?
1-(4-bromo-2-ethylphenoxy)propan-2-one has a molecular weight of 257.13 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenoxy)propan-2-one is sourced from PubChem (CID 58963157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).