4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one

C14H17BrO2 — CID 65325759

IUPAC4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
SMILESCOc1ccc(Br)c(CCCC(=O)C2CC2)c1
InChIInChI=1S/C14H17BrO2/c1-17-12-7-8-13(15)11(9-12)3-2-4-14(16)10-5-6-10/h7-10H,2-6H2,1H3
InChIKeyJOGSLLPCKDSYIE-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.76
Rot. Bonds6

About 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one

4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one (PubChem CID 65325759) has the molecular formula C14H17BrO2 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one.

Molecular Properties

Compound Name4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
PubChem CID65325759
Molecular FormulaC14H17BrO2
Molecular Weight297.19 g/mol
Exact Mass296.04
IUPAC Name4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one
SMILESCOc1ccc(Br)c(CCCC(=O)C2CC2)c1
InChIInChI=1S/C14H17BrO2/c1-17-12-7-8-13(15)11(9-12)3-2-4-14(16)10-5-6-10/h7-10H,2-6H2,1H3
InChIKeyJOGSLLPCKDSYIE-UHFFFAOYSA-N
XLogP3.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-(2-bromo-5-methoxyphenyl)butanoate
CID 134844592
1-(2-bromo-5-methoxyphenyl)octan-4-one
CID 11255432
1-(2-bromo-5-methoxyphenyl)heptan-4-one
CID 65325757
1-cyclopentyl-4-(4-methoxyphenyl)butan-1-one
CID 113390085
2-(2-bromo-5-methoxyphenyl)ethanol
CID 10489678
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
3-(2-bromo-5-methoxyphenyl)-1-phenylpropan-1-one
CID 11392992
2-(2-bromo-5-methoxyphenyl)-1-(thiolan-2-yl)ethanone
CID 80621821
N-[2-[(2-bromo-5-methoxyphenyl)methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 47328613
N-[2-(2-bromo-5-methoxyphenyl)ethyl]acetamide
CID 12626088
1-(2-bromo-5-methoxyphenyl)-3-cyclopropylbutan-2-one
CID 114973628
2-(2-bromo-4-methoxyphenoxy)-1-cyclopentylethanone
CID 104705269

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one?
The IUPAC name of 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one (CID 65325759) is 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one.
What is the SMILES notation for 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one?
The canonical SMILES for 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one is COc1ccc(Br)c(CCCC(=O)C2CC2)c1.
What is the InChIKey of 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one?
The InChIKey is JOGSLLPCKDSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrO2/c1-17-12-7-8-13(15)11(9-12)3-2-4-14(16)10-5-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one?
4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one has a molecular weight of 297.19 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-5-methoxyphenyl)-1-cyclopropylbutan-1-one is sourced from PubChem (CID 65325759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).