2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one

C16H22O3 — CID 83154555

IUPAC2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)C2CC2)cc1OCC
InChIInChI=1S/C16H22O3/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12H,4-7H2,1-3H3
InChIKeyAKFINYYYLYIRJK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.71
Rot. Bonds7

About 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one

2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one (PubChem CID 83154555) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
PubChem CID83154555
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one
SMILESCCOc1ccc(C(=O)C(C)C2CC2)cc1OCC
InChIInChI=1S/C16H22O3/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12H,4-7H2,1-3H3
InChIKeyAKFINYYYLYIRJK-UHFFFAOYSA-N
XLogP3.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(3,4-dipropoxyphenyl)propan-1-one
CID 83144881
1-[3-bromo-4-(2-methoxyethoxy)phenyl]-2-cyclopropylpropan-1-one
CID 104657118
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
1-(3,4-diethoxyphenyl)-2-pyrrolidin-1-ylpropan-1-one
CID 6430840
2-chloro-1-(3,4-diethoxyphenyl)butan-1-one
CID 82254834
bis(3,4-diethoxyphenyl)methanone
CID 135325793
3,4-diethoxy-N-(2-methylpropyl)benzamide
CID 918264
N-(2-cyclohexyl-2-hydroxyethyl)-3,4-diethoxybenzamide
CID 90498823
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3,4-diethoxybenzamide
CID 18775613
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 7785718
5-(3,4-diethoxyphenyl)-3-methyl-5-oxopentanoic acid
CID 62934490
1-(2-bromo-4-ethoxyphenyl)-2-cyclopropylpropan-1-one
CID 83154667

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one (CID 83154555) is 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one is CCOc1ccc(C(=O)C(C)C2CC2)cc1OCC.
What is the InChIKey of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one?
The InChIKey is AKFINYYYLYIRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-4-18-14-9-8-13(10-15(14)19-5-2)16(17)11(3)12-6-7-12/h8-12H,4-7H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one?
2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one has a molecular weight of 262.35 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,4-diethoxyphenyl)propan-1-one is sourced from PubChem (CID 83154555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).