2-bromo-1-(4-methoxy-3-methylphenyl)ethanone

C10H11BrO2 — CID 13440066

IUPAC2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CBr)cc1C
InChIInChI=1S/C10H11BrO2/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5H,6H2,1-2H3
InChIKeyVCTYBUSTAGLDKY-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.58
Rot. Bonds3

About 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone

2-bromo-1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 13440066) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID13440066
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CBr)cc1C
InChIInChI=1S/C10H11BrO2/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5H,6H2,1-2H3
InChIKeyVCTYBUSTAGLDKY-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.58
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-bromo-1-(4-ethoxy-3-methylphenyl)ethanone
CID 82482827
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
2-bromo-1-(3-bromo-4-methoxyphenyl)ethanone
CID 2756849
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
CID 82077457
2-bromo-1-(4-methoxy-3-propoxyphenyl)ethanone
CID 54341335
2-[4-(2-bromoacetyl)-2-methoxyphenoxy]acetic acid
CID 140988709
ethyl 2-[4-(2-bromoacetyl)-2-methylphenoxy]acetate
CID 18918343
2-bromo-1-[4-(hydroxymethyl)-3-methoxyphenyl]ethanone
CID 87613881
2-bromo-1-(4-hydroxy-3-methylphenyl)ethanone
CID 11218449
2-bromo-1-[3-(3-hydroxypropoxy)-4-methoxyphenyl]ethanone
CID 119094833
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone (CID 13440066) is 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)CBr)cc1C.
What is the InChIKey of 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is VCTYBUSTAGLDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-7-5-8(9(12)6-11)3-4-10(7)13-2/h3-5H,6H2,1-2H3.
What are the key properties of 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone?
2-bromo-1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 13440066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).