(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone

C13H15BrO — CID 114329540

IUPAC(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
SMILESCc1cc(C(=O)C2CCC2)cc(C)c1Br
InChIInChI=1S/C13H15BrO/c1-8-6-11(7-9(2)12(8)14)13(15)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyIKNCGBZCXDNWBU-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.05
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone

(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone (PubChem CID 114329540) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
PubChem CID114329540
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone
SMILESCc1cc(C(=O)C2CCC2)cc(C)c1Br
InChIInChI=1S/C13H15BrO/c1-8-6-11(7-9(2)12(8)14)13(15)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3
InChIKeyIKNCGBZCXDNWBU-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-3,5-dimethylphenyl)-cyclohexylmethanone
CID 114329532
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405
cyclobutyl-(3,5-dimethylphenyl)methanone
CID 24724134
cyclopentyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298882
cyclopentyl-(3,5-dibromophenyl)methanone
CID 107976355
(3-bromo-4-methylphenyl)-cyclopentylmethanone
CID 82122935
(2-bromo-3-methyl-5-nitrosophenyl)-cyclobutylmethanone
CID 135175776
(3-chloro-5-methylphenyl)-cyclobutylmethanone
CID 115811495
cyclopropyl-(3,5-dibromophenyl)methanone
CID 107976980
cyclobutyl-(2,4,5-trimethylphenyl)methanone
CID 64989834
cycloheptyl-(4-fluoro-3-methylphenyl)methanone
CID 65399772
(4-bromo-3,5-dimethylphenyl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanone
CID 114329724

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone (CID 114329540) is (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone is Cc1cc(C(=O)C2CCC2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone?
The InChIKey is IKNCGBZCXDNWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-8-6-11(7-9(2)12(8)14)13(15)10-4-3-5-10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone?
(4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone has a molecular weight of 267.17 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-cyclobutylmethanone is sourced from PubChem (CID 114329540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).