cyclobutyl-(2,4-dichlorophenyl)methanone

C11H10Cl2O — CID 24724148

IUPACcyclobutyl-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C11H10Cl2O/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7/h4-7H,1-3H2
InChIKeyVKMJMEMSTYACSM-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.98
Rot. Bonds2

About cyclobutyl-(2,4-dichlorophenyl)methanone

cyclobutyl-(2,4-dichlorophenyl)methanone (PubChem CID 24724148) has the molecular formula C11H10Cl2O and a molecular weight of 229.11 g/mol. Its IUPAC name is cyclobutyl-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Namecyclobutyl-(2,4-dichlorophenyl)methanone
PubChem CID24724148
Molecular FormulaC11H10Cl2O
Molecular Weight229.11 g/mol
Exact Mass228.01
IUPAC Namecyclobutyl-(2,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)C1CCC1
InChIInChI=1S/C11H10Cl2O/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7/h4-7H,1-3H2
InChIKeyVKMJMEMSTYACSM-UHFFFAOYSA-N
XLogP3.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-2-fluorophenyl)-cyclopentylmethanone
CID 24724178
(2-amino-5-chlorophenyl)-cyclopentylmethanone
CID 57148453
(2,4-dichlorophenyl)-(thiolan-2-yl)methanone
CID 14667238
(2,4-dichlorophenyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787260
(2-chloro-4-methoxyphenyl)-cyclooctylmethanone
CID 65018637
(2,4-dichlorophenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)methanone
CID 71795897
(5-chloro-2-methoxyphenyl)-cycloheptylmethanone
CID 65399771
N-[(E)-1-(2,4-dichlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237610
methyl 4-chloro-2-(cyclopropanecarbonyl)benzoate
CID 162363879
4-(2,4-dichlorobenzoyl)thiane-3,5-dione
CID 14072889
3-(4-chloro-2-fluorobenzoyl)cyclohexan-1-one
CID 114859315
cyclobutyl-(3,4-dichlorophenyl)methanone
CID 24724150

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(2,4-dichlorophenyl)methanone?
The IUPAC name of cyclobutyl-(2,4-dichlorophenyl)methanone (CID 24724148) is cyclobutyl-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for cyclobutyl-(2,4-dichlorophenyl)methanone?
The canonical SMILES for cyclobutyl-(2,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)cc1Cl)C1CCC1.
What is the InChIKey of cyclobutyl-(2,4-dichlorophenyl)methanone?
The InChIKey is VKMJMEMSTYACSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2O/c12-8-4-5-9(10(13)6-8)11(14)7-2-1-3-7/h4-7H,1-3H2.
What are the key properties of cyclobutyl-(2,4-dichlorophenyl)methanone?
cyclobutyl-(2,4-dichlorophenyl)methanone has a molecular weight of 229.11 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 24724148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).