1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one

C14H19BrO2 — CID 65439340

IUPAC1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H19BrO2/c1-5-6-9(2)14(16)11-8-12(15)10(3)7-13(11)17-4/h7-9H,5-6H2,1-4H3
InChIKeyJXQYUYCHRSVPOJ-UHFFFAOYSA-N
MW299.21 g/mol
LogP4.39
Rot. Bonds5

About 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one

1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one (PubChem CID 65439340) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
PubChem CID65439340
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one
SMILESCCCC(C)C(=O)c1cc(Br)c(C)cc1OC
InChIInChI=1S/C14H19BrO2/c1-5-6-9(2)14(16)11-8-12(15)10(3)7-13(11)17-4/h7-9H,5-6H2,1-4H3
InChIKeyJXQYUYCHRSVPOJ-UHFFFAOYSA-N
XLogP4.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-dimethoxy-2-methylphenyl)-2-methylpentan-1-one
CID 43626575
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpropan-1-one
CID 65439526
2-bromo-1-(5-bromo-2-methoxy-4-methylphenyl)butan-1-one
CID 65439724
1-(5-bromo-4-fluoro-2-methoxyphenyl)-2-methylhexan-1-one
CID 114246172
1-(4,5-difluoro-2-methoxyphenyl)-2-methylpentan-1-one
CID 146006154
4-amino-1-(2-methoxy-4,5-dimethylphenyl)-2-methylbutan-1-one
CID 116915986
2-bromo-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 12937025
1-(5-bromo-2-methoxy-4-methylphenyl)-2-chloroethanone
CID 65439722
1-(2,5-dibromo-4-methylphenyl)-2-methylbutan-1-one
CID 81468688
1-(5-bromo-2-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-one
CID 65438555
1-(2-bromophenyl)-2-methylpentan-1-one
CID 107891390
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one?
The IUPAC name of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one (CID 65439340) is 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one?
The canonical SMILES for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one is CCCC(C)C(=O)c1cc(Br)c(C)cc1OC.
What is the InChIKey of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one?
The InChIKey is JXQYUYCHRSVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c1-5-6-9(2)14(16)11-8-12(15)10(3)7-13(11)17-4/h7-9H,5-6H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one?
1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one has a molecular weight of 299.21 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxy-4-methylphenyl)-2-methylpentan-1-one is sourced from PubChem (CID 65439340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).