cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone

C15H20O2 — CID 82266397

IUPACcyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CC2)c(C)c1C
InChIInChI=1S/C15H20O2/c1-4-9-17-14-8-7-13(10(2)11(14)3)15(16)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3
InChIKeyASPXDGUTQUMOGB-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.68
Rot. Bonds5

About cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone

cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone (PubChem CID 82266397) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
PubChem CID82266397
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namecyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
SMILESCCCOc1ccc(C(=O)C2CC2)c(C)c1C
InChIInChI=1S/C15H20O2/c1-4-9-17-14-8-7-13(10(2)11(14)3)15(16)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3
InChIKeyASPXDGUTQUMOGB-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(5-iodo-2-propoxyphenyl)methanone
CID 82267286
ethyl 2-(2,3-dimethyl-4-propoxyphenyl)-2-oxoacetate
CID 82552544
cyclopropyl-[2-propoxy-5-(trifluoromethyl)phenyl]methanone
CID 82262902
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
5-(2,3-dimethyl-4-propoxyphenyl)-5-oxopentanoic acid
CID 82266372
(4-propan-2-ylcyclohexyl)-(2-propoxyphenyl)methanone
CID 104659305
(2,3-difluoro-4-pentoxyphenyl)-(4-methylcyclohexyl)methanone
CID 169027201
cyclohexyl-(2-propoxynaphthalen-1-yl)methanone
CID 82550350
1-(2,3-dimethyl-4-propoxyphenyl)-2-methyl-3-piperazin-1-ylpropan-1-one
CID 82266405
cyclohexyl-(3,4-dipropoxyphenyl)methanone
CID 82550226
1-(2,3-dimethyl-4-propoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82266393
(8-butoxyquinolin-5-yl)-piperidin-4-ylmethanone
CID 96709887

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone?
The IUPAC name of cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone (CID 82266397) is cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone.
What is the SMILES notation for cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone?
The canonical SMILES for cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone is CCCOc1ccc(C(=O)C2CC2)c(C)c1C.
What is the InChIKey of cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone?
The InChIKey is ASPXDGUTQUMOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-4-9-17-14-8-7-13(10(2)11(14)3)15(16)12-5-6-12/h7-8,12H,4-6,9H2,1-3H3.
What are the key properties of cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone?
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone has a molecular weight of 232.32 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone is sourced from PubChem (CID 82266397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).