(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone

C15H18Cl2O — CID 65394546

IUPAC(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2O/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
InChIKeyKFQUUJOVKBIFFO-UHFFFAOYSA-N
MW285.21 g/mol
LogP5.39
Rot. Bonds3

About (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone

(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 65394546) has the molecular formula C15H18Cl2O and a molecular weight of 285.21 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID65394546
Molecular FormulaC15H18Cl2O
Molecular Weight285.21 g/mol
Exact Mass284.07
IUPAC Name(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H18Cl2O/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
InChIKeyKFQUUJOVKBIFFO-UHFFFAOYSA-N
XLogP5.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.21
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 64776014
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
1-(2,3-dichlorophenyl)propan-1-one
CID 22173184
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64776634
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
3-chloro-2-(4-ethylcyclohexyl)oxybenzoic acid
CID 112611895

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone (CID 65394546) is (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is KFQUUJOVKBIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2O/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 (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone?
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 285.21 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 65394546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).