cyclopropyl-(2-propan-2-ylphenyl)methanone

C13H16O — CID 53437883

IUPACcyclopropyl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CC1
InChIInChI=1S/C13H16O/c1-9(2)11-5-3-4-6-12(11)13(14)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyANFXMHMXQZHWKP-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.40
Rot. Bonds3

About cyclopropyl-(2-propan-2-ylphenyl)methanone

cyclopropyl-(2-propan-2-ylphenyl)methanone (PubChem CID 53437883) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is cyclopropyl-(2-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-propan-2-ylphenyl)methanone
PubChem CID53437883
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Namecyclopropyl-(2-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccccc1C(=O)C1CC1
InChIInChI=1S/C13H16O/c1-9(2)11-5-3-4-6-12(11)13(14)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3
InChIKeyANFXMHMXQZHWKP-UHFFFAOYSA-N
XLogP3.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-propan-2-ylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722485
cyclohexyl-(2-propan-2-ylphenyl)methanone
CID 146007151
2-[2-(cyclopropanecarbonyl)phenyl]propanenitrile
CID 23499878
(8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947801
(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947804
cyclopropyl-(2-methylsulfanylphenyl)methanone
CID 24724093
cyclopropyl-(2-hydroxyphenyl)methanone
CID 14638095
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-(2-propan-2-ylphenyl)methanone
CID 171947798
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
naphthalen-1-yl-(4-propan-2-ylcyclohexyl)methanone
CID 65425044
N-[2-(cyclopropanecarbonyl)phenyl]acetamide
CID 102044050

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-propan-2-ylphenyl)methanone?
The IUPAC name of cyclopropyl-(2-propan-2-ylphenyl)methanone (CID 53437883) is cyclopropyl-(2-propan-2-ylphenyl)methanone.
What is the SMILES notation for cyclopropyl-(2-propan-2-ylphenyl)methanone?
The canonical SMILES for cyclopropyl-(2-propan-2-ylphenyl)methanone is CC(C)c1ccccc1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(2-propan-2-ylphenyl)methanone?
The InChIKey is ANFXMHMXQZHWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-9(2)11-5-3-4-6-12(11)13(14)10-7-8-10/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of cyclopropyl-(2-propan-2-ylphenyl)methanone?
cyclopropyl-(2-propan-2-ylphenyl)methanone has a molecular weight of 188.27 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-propan-2-ylphenyl)methanone is sourced from PubChem (CID 53437883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).