1-(2-bromo-4-methoxy-5-methylphenyl)ethanone

C10H11BrO2 — CID 134818651

IUPAC1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
SMILESCOc1cc(Br)c(C(C)=O)cc1C
InChIInChI=1S/C10H11BrO2/c1-6-4-8(7(2)12)9(11)5-10(6)13-3/h4-5H,1-3H3
InChIKeyDIQVLJWEUFVXKV-UHFFFAOYSA-N
MW243.10 g/mol
LogP2.97
Rot. Bonds2

About 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone

1-(2-bromo-4-methoxy-5-methylphenyl)ethanone (PubChem CID 134818651) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
PubChem CID134818651
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name1-(2-bromo-4-methoxy-5-methylphenyl)ethanone
SMILESCOc1cc(Br)c(C(C)=O)cc1C
InChIInChI=1S/C10H11BrO2/c1-6-4-8(7(2)12)9(11)5-10(6)13-3/h4-5H,1-3H3
InChIKeyDIQVLJWEUFVXKV-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone?
The IUPAC name of 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone (CID 134818651) is 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone?
The canonical SMILES for 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone is COc1cc(Br)c(C(C)=O)cc1C.
What is the InChIKey of 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone?
The InChIKey is DIQVLJWEUFVXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-6-4-8(7(2)12)9(11)5-10(6)13-3/h4-5H,1-3H3.
What are the key properties of 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone?
1-(2-bromo-4-methoxy-5-methylphenyl)ethanone has a molecular weight of 243.10 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methoxy-5-methylphenyl)ethanone is sourced from PubChem (CID 134818651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).