1-(5-bromo-2-propan-2-yloxyphenyl)ethanone

C11H13BrO2 — CID 60643994

IUPAC1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C11H13BrO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3
InChIKeyQABBMRUCSXZSBD-UHFFFAOYSA-N
MW257.13 g/mol
LogP3.44
Rot. Bonds3

About 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone

1-(5-bromo-2-propan-2-yloxyphenyl)ethanone (PubChem CID 60643994) has the molecular formula C11H13BrO2 and a molecular weight of 257.13 g/mol. Its IUPAC name is 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
PubChem CID60643994
Molecular FormulaC11H13BrO2
Molecular Weight257.13 g/mol
Exact Mass256.01
IUPAC Name1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
SMILESCC(=O)c1cc(Br)ccc1OC(C)C
InChIInChI=1S/C11H13BrO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3
InChIKeyQABBMRUCSXZSBD-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-propan-2-yloxybenzamide
CID 17052192
methyl (2S)-2-(2-acetyl-4-bromophenoxy)propanoate
CID 94158655
1-(5-bromo-2-methoxyphenyl)ethanone
CID 2757029
[4-(5-bromo-2-propan-2-yloxybenzoyl)piperazin-1-yl]-(5-bromo-2-propan-2-yloxyphenyl)methanone
CID 17052202
(2R)-2-(2-acetyl-4-bromophenoxy)-4-methylpentanoic acid
CID 114284684
phenyl 5-bromo-2-propan-2-yloxybenzoate
CID 23013210
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
ethyl 2-(2-acetyl-4-bromophenoxy)butanoate
CID 64661751
1-[5-bromo-2-(4-bromophenoxy)phenyl]ethanone
CID 82966680
(2-bromo-4-ethylphenyl) 5-bromo-2-propan-2-yloxybenzoate
CID 23013240
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
N-[(4-acetylphenyl)carbamothioyl]-5-bromo-2-propan-2-yloxybenzamide
CID 17051911

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone?
The IUPAC name of 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone (CID 60643994) is 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone.
What is the SMILES notation for 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone?
The canonical SMILES for 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone is CC(=O)c1cc(Br)ccc1OC(C)C.
What is the InChIKey of 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone?
The InChIKey is QABBMRUCSXZSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO2/c1-7(2)14-11-5-4-9(12)6-10(11)8(3)13/h4-7H,1-3H3.
What are the key properties of 1-(5-bromo-2-propan-2-yloxyphenyl)ethanone?
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone has a molecular weight of 257.13 g/mol, XLogP of 3.44, 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-propan-2-yloxyphenyl)ethanone is sourced from PubChem (CID 60643994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).