2-bromo-2-(2-methylphenoxy)-1-phenylethanone

C15H13BrO2 — CID 21326049

IUPAC2-bromo-2-(2-methylphenoxy)-1-phenylethanone
SMILESCc1ccccc1OC(Br)C(=O)c1ccccc1
InChIInChI=1S/C15H13BrO2/c1-11-7-5-6-10-13(11)18-15(16)14(17)12-8-3-2-4-9-12/h2-10,15H,1H3
InChIKeyPHYHTEBLDFLETP-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.98
Rot. Bonds4

About 2-bromo-2-(2-methylphenoxy)-1-phenylethanone

2-bromo-2-(2-methylphenoxy)-1-phenylethanone (PubChem CID 21326049) has the molecular formula C15H13BrO2 and a molecular weight of 305.17 g/mol. Its IUPAC name is 2-bromo-2-(2-methylphenoxy)-1-phenylethanone.

Molecular Properties

Compound Name2-bromo-2-(2-methylphenoxy)-1-phenylethanone
PubChem CID21326049
Molecular FormulaC15H13BrO2
Molecular Weight305.17 g/mol
Exact Mass304.01
IUPAC Name2-bromo-2-(2-methylphenoxy)-1-phenylethanone
SMILESCc1ccccc1OC(Br)C(=O)c1ccccc1
InChIInChI=1S/C15H13BrO2/c1-11-7-5-6-10-13(11)18-15(16)14(17)12-8-3-2-4-9-12/h2-10,15H,1H3
InChIKeyPHYHTEBLDFLETP-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.98
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

1-bromo-3,3-dimethyl-1-(2-methylphenoxy)butan-2-one
CID 21326042
4-bromo-2,2-dimethyl-4-(2-methylphenoxy)-3-oxobutanoic acid
CID 20538631
(2S,3S)-2,3-bis(2-methylphenoxy)butanedioic acid
CID 69402969
2-(2-methylphenoxy)-3-oxobutanoic acid
CID 14229589
2-bromo-2-(methoxymethoxy)-1-phenylethanone
CID 154306576
(2S)-2-(2-methylphenoxy)propanoate
CID 6957172
(2-methylphenyl) benzenecarboperoxoate
CID 20535539
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
ethane;(2R)-2-(2-methylphenoxy)butanoic acid
CID 143919968
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
3-(2-methylphenoxy)-2-methylsulfanyl-1-phenylpropan-1-one
CID 67708542

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(2-methylphenoxy)-1-phenylethanone?
The IUPAC name of 2-bromo-2-(2-methylphenoxy)-1-phenylethanone (CID 21326049) is 2-bromo-2-(2-methylphenoxy)-1-phenylethanone.
What is the SMILES notation for 2-bromo-2-(2-methylphenoxy)-1-phenylethanone?
The canonical SMILES for 2-bromo-2-(2-methylphenoxy)-1-phenylethanone is Cc1ccccc1OC(Br)C(=O)c1ccccc1.
What is the InChIKey of 2-bromo-2-(2-methylphenoxy)-1-phenylethanone?
The InChIKey is PHYHTEBLDFLETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrO2/c1-11-7-5-6-10-13(11)18-15(16)14(17)12-8-3-2-4-9-12/h2-10,15H,1H3.
What are the key properties of 2-bromo-2-(2-methylphenoxy)-1-phenylethanone?
2-bromo-2-(2-methylphenoxy)-1-phenylethanone has a molecular weight of 305.17 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(2-methylphenoxy)-1-phenylethanone is sourced from PubChem (CID 21326049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).