(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone

C16H21BrO3 — CID 107176730

IUPAC(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
SMILESCOc1cc(C(=O)C2CCCC2(C)C)c(OC)cc1Br
InChIInChI=1S/C16H21BrO3/c1-16(2)7-5-6-11(16)15(18)10-8-14(20-4)12(17)9-13(10)19-3/h8-9,11H,5-7H2,1-4H3
InChIKeyGYWIDVXJPMNZAA-UHFFFAOYSA-N
MW341.25 g/mol
LogP4.48
Rot. Bonds4

About (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone

(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107176730) has the molecular formula C16H21BrO3 and a molecular weight of 341.25 g/mol. Its IUPAC name is (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
PubChem CID107176730
Molecular FormulaC16H21BrO3
Molecular Weight341.25 g/mol
Exact Mass340.07
IUPAC Name(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone
SMILESCOc1cc(C(=O)C2CCCC2(C)C)c(OC)cc1Br
InChIInChI=1S/C16H21BrO3/c1-16(2)7-5-6-11(16)15(18)10-8-14(20-4)12(17)9-13(10)19-3/h8-9,11H,5-7H2,1-4H3
InChIKeyGYWIDVXJPMNZAA-UHFFFAOYSA-N
XLogP4.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-dimethylcyclopentyl)-(2-fluoro-4,5-dimethoxyphenyl)methanone
CID 107176525
(2,2-dimethylcyclohexyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 107176350
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
(2,3-difluorophenyl)-(2,2-dimethylcyclopentyl)methanone
CID 107186982
1-bromo-4-[chloro-(2,2-dimethylcyclopentyl)methyl]-2,5-dimethoxybenzene
CID 107182652
2-bromo-1-(4-bromo-2,5-dimethoxyphenyl)ethanone
CID 86014406
(2,2-dimethylcyclohexyl)-(2-fluorophenyl)methanone
CID 107186732
1-(4-bromo-2,5-dimethoxyphenyl)-2,2-difluoroethanone
CID 103513706
(2,2-dimethylcyclopentyl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 107176714
(4-bromo-5-chlorothiophen-2-yl)-(2,2-dimethylcyclohexyl)methanone
CID 107176750
N-(2-bromo-4-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104920682
(2,2-dimethylcyclohexyl)-(2-methylphenyl)methanone
CID 107186637

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone (CID 107176730) is (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone is COc1cc(C(=O)C2CCCC2(C)C)c(OC)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is GYWIDVXJPMNZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrO3/c1-16(2)7-5-6-11(16)15(18)10-8-14(20-4)12(17)9-13(10)19-3/h8-9,11H,5-7H2,1-4H3.
What are the key properties of (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone?
(4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 341.25 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethoxyphenyl)-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107176730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).