cyclohexyl-(3,4-dichlorophenyl)methanone

C13H14Cl2O — CID 11601310

IUPACcyclohexyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H14Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyZNFNRUZLPOEANF-UHFFFAOYSA-N
MW257.16 g/mol
LogP4.76
Rot. Bonds2

About cyclohexyl-(3,4-dichlorophenyl)methanone

cyclohexyl-(3,4-dichlorophenyl)methanone (PubChem CID 11601310) has the molecular formula C13H14Cl2O and a molecular weight of 257.16 g/mol. Its IUPAC name is cyclohexyl-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3,4-dichlorophenyl)methanone
PubChem CID11601310
Molecular FormulaC13H14Cl2O
Molecular Weight257.16 g/mol
Exact Mass256.04
IUPAC Namecyclohexyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCCC1
InChIInChI=1S/C13H14Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2
InChIKeyZNFNRUZLPOEANF-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cycloheptyl-(3,4-dichlorophenyl)methanone
CID 63490974
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150
cyclopropyl-(3,4-dichlorophenyl)methanone
CID 19806646
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
2-chloro-4-(cyclobutanecarbonyl)benzonitrile
CID 138109981
N-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55955366
1-[3-[4-(3,4-dichlorobenzoyl)piperidine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55980544
cyclohexyl-[4-(3,4-dichlorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 108543908
(3,4-dichlorophenyl)-(oxiran-2-yl)methanone
CID 116826504
(3,4-dichlorophenyl)-[1-[(1S,2S)-2-methylcyclopropanecarbonyl]piperidin-4-yl]methanone
CID 94796993
(4-bromophenyl)-cycloheptylmethanone
CID 63492666
2-cyclohexyloxy-1-(3,4-dichlorophenyl)ethanone
CID 43799312

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3,4-dichlorophenyl)methanone?
The IUPAC name of cyclohexyl-(3,4-dichlorophenyl)methanone (CID 11601310) is cyclohexyl-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for cyclohexyl-(3,4-dichlorophenyl)methanone?
The canonical SMILES for cyclohexyl-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCCCC1.
What is the InChIKey of cyclohexyl-(3,4-dichlorophenyl)methanone?
The InChIKey is ZNFNRUZLPOEANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9H,1-5H2.
What are the key properties of cyclohexyl-(3,4-dichlorophenyl)methanone?
cyclohexyl-(3,4-dichlorophenyl)methanone has a molecular weight of 257.16 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 11601310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).