2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone

C14H18O2 — CID 83057486

IUPAC2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CC2CC2)cc1C
InChIInChI=1S/C14H18O2/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeySARVOQGIDDSMCK-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.29
Rot. Bonds4

About 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone

2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone (PubChem CID 83057486) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
PubChem CID83057486
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone
SMILESCOc1c(C)cc(C(=O)CC2CC2)cc1C
InChIInChI=1S/C14H18O2/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3
InChIKeySARVOQGIDDSMCK-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 82401990
2-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]acetic acid
CID 120684670
1-(4-methoxy-3,5-dimethylphenyl)-2-morpholin-2-ylethanone
CID 116919977
1-(4-bromo-3-methylphenyl)-2-cyclopropylethanone
CID 114974638
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355
2-(1-methoxycyclobutyl)-1-(4-methoxy-3,5-dimethylphenyl)ethanone
CID 103556021
1-(4-methoxy-3,5-dimethylphenyl)-3-methylsulfanylpropan-1-one
CID 116830914
(4-aminocyclohexyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 116917563
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
3-cyclopropyl-2-[(4-methoxy-3,5-dimethylbenzoyl)amino]propanoic acid
CID 120689532
4,4,4-trifluoro-1-(4-methoxy-3,5-dimethylphenyl)butan-1-one
CID 83057195
1-cyclopropyl-N-[(4-methoxy-3,5-dimethylphenyl)methyl]methanamine;hydrochloride
CID 115592095

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone (CID 83057486) is 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone is COc1c(C)cc(C(=O)CC2CC2)cc1C.
What is the InChIKey of 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
The InChIKey is SARVOQGIDDSMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-9-6-12(7-10(2)14(9)16-3)13(15)8-11-4-5-11/h6-7,11H,4-5,8H2,1-3H3.
What are the key properties of 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone?
2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone has a molecular weight of 218.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(4-methoxy-3,5-dimethylphenyl)ethanone is sourced from PubChem (CID 83057486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).