(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone

C15H18Br2O — CID 114975946

IUPAC(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H18Br2O/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3
InChIKeyYMSLCHCPSXXIIK-UHFFFAOYSA-N
MW374.12 g/mol
LogP5.61
Rot. Bonds3

About (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone

(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 114975946) has the molecular formula C15H18Br2O and a molecular weight of 374.12 g/mol. Its IUPAC name is (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID114975946
Molecular FormulaC15H18Br2O
Molecular Weight374.12 g/mol
Exact Mass371.97
IUPAC Name(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cc(Br)ccc2Br)CC1
InChIInChI=1S/C15H18Br2O/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3
InChIKeyYMSLCHCPSXXIIK-UHFFFAOYSA-N
XLogP5.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.12
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
2-(2,5-dibromobenzoyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114512487
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(5-bromo-2-ethoxyphenyl)-cyclopropylmethanone
CID 43311304
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
(2-bromo-5-fluorophenyl)-cyclopropylmethanone
CID 114977645
3-cyclopropyl-1-(2,5-dibromophenyl)propan-1-one
CID 114978303
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093
2,5-dibromo-N-(cyclopropylmethyl)benzamide
CID 114369762
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680

Frequently Asked Questions

What is the IUPAC name of (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone (CID 114975946) is (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cc(Br)ccc2Br)CC1.
What is the InChIKey of (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is YMSLCHCPSXXIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2O/c1-2-10-3-5-11(6-4-10)15(18)13-9-12(16)7-8-14(13)17/h7-11H,2-6H2,1H3.
What are the key properties of (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone?
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 374.12 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 114975946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).