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

C12H15BrO2 — CID 22111343

IUPAC2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)Br)cc1
InChIInChI=1S/C12H15BrO2/c1-8(2)15-11-6-4-10(5-7-11)12(14)9(3)13/h4-9H,1-3H3
InChIKeyDMPURYNRSCYBFO-UHFFFAOYSA-N
MW271.15 g/mol
LogP3.44
Rot. Bonds4

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

2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one (PubChem CID 22111343) has the molecular formula C12H15BrO2 and a molecular weight of 271.15 g/mol. Its IUPAC name is 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
PubChem CID22111343
Molecular FormulaC12H15BrO2
Molecular Weight271.15 g/mol
Exact Mass270.03
IUPAC Name2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one
SMILESCC(C)Oc1ccc(C(=O)C(C)Br)cc1
InChIInChI=1S/C12H15BrO2/c1-8(2)15-11-6-4-10(5-7-11)12(14)9(3)13/h4-9H,1-3H3
InChIKeyDMPURYNRSCYBFO-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 116918210
2-(4-propan-2-yloxybenzoyl)butanoic acid
CID 116922848
(4-propan-2-yloxybenzoyl)chloranium
CID 143172095
2,2,2-trifluoro-1-(4-propan-2-yloxyphenyl)ethanone
CID 62961699
2-bromo-1-[4-(2-fluoroethoxy)phenyl]propan-1-one
CID 102547206
2-(methylamino)-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 112512252
2-methoxy-3,3-dimethyl-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 116709705
fluoro 4-propan-2-yloxybenzoate
CID 174701102
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444
2,2,3,3,3-pentafluoro-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 114037996
2-(2-methylpropylamino)-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 82100873
N'-(4-fluorobenzoyl)-4-propan-2-yloxybenzohydrazide
CID 40606275

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one?
The IUPAC name of 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one (CID 22111343) is 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one?
The canonical SMILES for 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one is CC(C)Oc1ccc(C(=O)C(C)Br)cc1.
What is the InChIKey of 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one?
The InChIKey is DMPURYNRSCYBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO2/c1-8(2)15-11-6-4-10(5-7-11)12(14)9(3)13/h4-9H,1-3H3.
What are the key properties of 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one?
2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one has a molecular weight of 271.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-propan-2-yloxyphenyl)propan-1-one is sourced from PubChem (CID 22111343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).