(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone

C15H18BrClO — CID 115565963

IUPAC(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H18BrClO/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12H,2-6H2,1H3
InChIKeyVIGRGPUHJQQEOW-UHFFFAOYSA-N
MW329.67 g/mol
LogP5.50
Rot. Bonds3

About (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone

(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone (PubChem CID 115565963) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
PubChem CID115565963
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone
SMILESCCC1CCCCC1C(=O)c1ccc(Cl)c(Br)c1
InChIInChI=1S/C15H18BrClO/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12H,2-6H2,1H3
InChIKeyVIGRGPUHJQQEOW-UHFFFAOYSA-N
XLogP5.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.67
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methoxyphenyl)-(2-ethylcyclohexyl)methanone
CID 114973801
(2-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114973789
(3-bromo-4-chlorophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 103841917
(3-chloro-4-methylphenyl)-(2-ethylcyclopropyl)methanone
CID 130908835
3-bromo-4-chloro-N-cyclopropyl-N-ethylbenzamide
CID 103841594
(2-ethylcyclohexyl)-(5-iodothiophen-3-yl)methanone
CID 114973805
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanamine
CID 115566736
3-bromo-4-chloro-N-cycloheptylbenzamide
CID 107999241
3-bromo-N-(2-tert-butylcyclohexyl)-4-chlorobenzamide
CID 107999351
(3-amino-4-methylpiperidin-1-yl)-(3-bromo-4-chlorophenyl)methanone
CID 114024781
(3-bromo-4-chlorophenyl)-(2,6-dimethylpiperidin-1-yl)methanone
CID 113329918
1-(3-bromo-4-chlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 115567141

Frequently Asked Questions

What is the IUPAC name of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone?
The IUPAC name of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone (CID 115565963) is (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone.
What is the SMILES notation for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone?
The canonical SMILES for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone is CCC1CCCCC1C(=O)c1ccc(Cl)c(Br)c1.
What is the InChIKey of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone?
The InChIKey is VIGRGPUHJQQEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c1-2-10-5-3-4-6-12(10)15(18)11-7-8-14(17)13(16)9-11/h7-10,12H,2-6H2,1H3.
What are the key properties of (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone?
(3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone has a molecular weight of 329.67 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4-chlorophenyl)-(2-ethylcyclohexyl)methanone is sourced from PubChem (CID 115565963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).