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

C15H18BrClO — CID 114975964

IUPAC(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C15H18BrClO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(16)14(12)17/h3-5,10-11H,2,6-9H2,1H3
InChIKeyFJIYTNVIFWMAPB-UHFFFAOYSA-N
MW329.67 g/mol
LogP5.50
Rot. Bonds3

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

(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 114975964) has the molecular formula C15H18BrClO and a molecular weight of 329.67 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID114975964
Molecular FormulaC15H18BrClO
Molecular Weight329.67 g/mol
Exact Mass328.02
IUPAC Name(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Br)c2Cl)CC1
InChIInChI=1S/C15H18BrClO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(16)14(12)17/h3-5,10-11H,2,6-9H2,1H3
InChIKeyFJIYTNVIFWMAPB-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

(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
(3-bromo-2-methylphenyl)-cyclohexylmethanone
CID 114962200
(3-bromo-2-chlorophenyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 115787814

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone (CID 114975964) is (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cccc(Br)c2Cl)CC1.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is FJIYTNVIFWMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClO/c1-2-10-6-8-11(9-7-10)15(18)12-4-3-5-13(16)14(12)17/h3-5,10-11H,2,6-9H2,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone?
(3-bromo-2-chlorophenyl)-(4-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-2-chlorophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 114975964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).