cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone

C13H14Cl2O2 — CID 82550728

IUPACcyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)C2CC2)cc1Cl
InChIInChI=1S/C13H14Cl2O2/c1-2-5-17-13-10(14)6-9(7-11(13)15)12(16)8-3-4-8/h6-8H,2-5H2,1H3
InChIKeyARUDOQGURRVBEC-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.37
Rot. Bonds5

About cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone

cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone (PubChem CID 82550728) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone
PubChem CID82550728
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Namecyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone
SMILESCCCOc1c(Cl)cc(C(=O)C2CC2)cc1Cl
InChIInChI=1S/C13H14Cl2O2/c1-2-5-17-13-10(14)6-9(7-11(13)15)12(16)8-3-4-8/h6-8H,2-5H2,1H3
InChIKeyARUDOQGURRVBEC-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(3,5-dichloro-4-propoxyphenyl)-2-oxoacetate
CID 82550718
[1-(3-chloro-5-methoxy-4-propoxybenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 60552365
4-butoxy-3,5-dichlorobenzoyl chloride
CID 87280604
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
(4-methylcyclohexyl)-(3-propoxyphenyl)methanone
CID 114975149
(3-chloro-5-ethoxy-4-propoxyphenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 60559152
3,5-dichloro-N-ethyl-N-phenyl-4-propoxybenzamide
CID 18848298
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
3-chloro-5-ethoxy-N,N-di(propan-2-yl)-4-propoxybenzamide
CID 56530425
(3-chloro-5-ethoxy-4-propoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560795
cyclopropyl-(3,5-ditert-butyl-4-ethoxyphenyl)methanone
CID 82265790
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone (CID 82550728) is cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone is CCCOc1c(Cl)cc(C(=O)C2CC2)cc1Cl.
What is the InChIKey of cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone?
The InChIKey is ARUDOQGURRVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c1-2-5-17-13-10(14)6-9(7-11(13)15)12(16)8-3-4-8/h6-8H,2-5H2,1H3.
What are the key properties of cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone?
cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone has a molecular weight of 273.16 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3,5-dichloro-4-propoxyphenyl)methanone is sourced from PubChem (CID 82550728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).