2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one

C14H18O3 — CID 115785456

IUPAC2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)cc(C(=O)C(C)C2CC2)c1
InChIInChI=1S/C14H18O3/c1-9(10-4-5-10)14(15)11-6-12(16-2)8-13(7-11)17-3/h6-10H,4-5H2,1-3H3
InChIKeyIPBMZSDOLWGOSP-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.93
Rot. Bonds5

About 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one

2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one (PubChem CID 115785456) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
PubChem CID115785456
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one
SMILESCOc1cc(OC)cc(C(=O)C(C)C2CC2)c1
InChIInChI=1S/C14H18O3/c1-9(10-4-5-10)14(15)11-6-12(16-2)8-13(7-11)17-3/h6-10H,4-5H2,1-3H3
InChIKeyIPBMZSDOLWGOSP-UHFFFAOYSA-N
XLogP2.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 114965532
2-cyclopropyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 83153883
2-cyclohexyl-N-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]-N-methylpropanamide
CID 90359222
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
1-(3,5-dimethoxyphenyl)-2-phenyl-2-piperidin-4-ylethanone
CID 70030141
tert-butyl 3-(3,5-dimethoxyphenyl)-2-methyl-3-oxopropanoate
CID 103399640
[3-(1-aminoethyl)piperidin-1-yl]-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119592720
N-(2-cyclohexyl-2-hydroxyethyl)-3,5-dimethoxybenzamide
CID 90498790
4-(2-cyclopropylpropanoyl)-1H-pyrrole-2-carboxylic acid
CID 83154757
(2-methoxycyclohexyl) 3,5-dimethoxybenzoate
CID 87001615
3,5-dimethoxy-N-methyl-N-propan-2-ylbenzamide
CID 86920278
N-(dicyclopropylmethyl)-3,5-dimethoxyaniline
CID 43173321

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one?
The IUPAC name of 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one (CID 115785456) is 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one.
What is the SMILES notation for 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one?
The canonical SMILES for 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one is COc1cc(OC)cc(C(=O)C(C)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one?
The InChIKey is IPBMZSDOLWGOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(10-4-5-10)14(15)11-6-12(16-2)8-13(7-11)17-3/h6-10H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one?
2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,5-dimethoxyphenyl)propan-1-one is sourced from PubChem (CID 115785456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).