2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

C16H22O — CID 66477283

IUPAC2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCc1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H22O/c1-11-6-8-12(9-7-11)10-13(17)14-15(2,3)16(14,4)5/h6-9,14H,10H2,1-5H3
InChIKeyJOQIVNDAGCLHDS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.79
Rot. Bonds3

About 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone

2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (PubChem CID 66477283) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
PubChem CID66477283
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
SMILESCc1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1
InChIInChI=1S/C16H22O/c1-11-6-8-12(9-7-11)10-13(17)14-15(2,3)16(14,4)5/h6-9,14H,10H2,1-5H3
InChIKeyJOQIVNDAGCLHDS-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-tert-butylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone
CID 114967862
1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
CID 61080285
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1,5-bis(4-methylphenyl)pentane-2,4-dione
CID 158369503
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
1-(2,3-dihydro-1H-inden-2-yl)-2-(4-methylphenyl)ethanone
CID 65409141
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The IUPAC name of 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone (CID 66477283) is 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The canonical SMILES for 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is Cc1ccc(CC(=O)C2C(C)(C)C2(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
The InChIKey is JOQIVNDAGCLHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11-6-8-12(9-7-11)10-13(17)14-15(2,3)16(14,4)5/h6-9,14H,10H2,1-5H3.
What are the key properties of 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone?
2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone has a molecular weight of 230.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanone is sourced from PubChem (CID 66477283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).