cycloheptyl-(3,4-dichlorophenyl)methanone

C14H16Cl2O — CID 63490974

IUPACcycloheptyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C14H16Cl2O/c15-12-8-7-11(9-13(12)16)14(17)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChIKeySWLCYAAQKICFER-UHFFFAOYSA-N
MW271.19 g/mol
LogP5.15
Rot. Bonds2

About cycloheptyl-(3,4-dichlorophenyl)methanone

cycloheptyl-(3,4-dichlorophenyl)methanone (PubChem CID 63490974) has the molecular formula C14H16Cl2O and a molecular weight of 271.19 g/mol. Its IUPAC name is cycloheptyl-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Namecycloheptyl-(3,4-dichlorophenyl)methanone
PubChem CID63490974
Molecular FormulaC14H16Cl2O
Molecular Weight271.19 g/mol
Exact Mass270.06
IUPAC Namecycloheptyl-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCCCCC1
InChIInChI=1S/C14H16Cl2O/c15-12-8-7-11(9-13(12)16)14(17)10-5-3-1-2-4-6-10/h7-10H,1-6H2
InChIKeySWLCYAAQKICFER-UHFFFAOYSA-N
XLogP5.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.19
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclohexyl-(3,4-dichlorophenyl)methanone
CID 11601310
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 cycloheptyl-(3,4-dichlorophenyl)methanone?
The IUPAC name of cycloheptyl-(3,4-dichlorophenyl)methanone (CID 63490974) is cycloheptyl-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for cycloheptyl-(3,4-dichlorophenyl)methanone?
The canonical SMILES for cycloheptyl-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCCCCC1.
What is the InChIKey of cycloheptyl-(3,4-dichlorophenyl)methanone?
The InChIKey is SWLCYAAQKICFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2O/c15-12-8-7-11(9-13(12)16)14(17)10-5-3-1-2-4-6-10/h7-10H,1-6H2.
What are the key properties of cycloheptyl-(3,4-dichlorophenyl)methanone?
cycloheptyl-(3,4-dichlorophenyl)methanone has a molecular weight of 271.19 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 63490974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).