1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one

C14H18O — CID 107003801

IUPAC1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
SMILESCC1(C)CC1C(=O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-14(2)10-12(14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyYNLJJALEWHSSKW-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.23
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one

1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one (PubChem CID 107003801) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
PubChem CID107003801
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
SMILESCC1(C)CC1C(=O)CCc1ccccc1
InChIInChI=1S/C14H18O/c1-14(2)10-12(14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
InChIKeyYNLJJALEWHSSKW-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-azaspiro[2.5]octan-2-yl)-3-phenylpropan-1-one
CID 116573115
1-cyclopropyl-3-phenylpropan-1-one
CID 24725607
1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 64739627
lanthanum;3-phenylpropanoic acid
CID 174887955
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-phenylpropan-1-one
CID 115269770
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
ethane;3-phenylpropanoyl chloride
CID 90742356
(5R)-5-ethyl-3,3-dimethyl-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 67737802
N-(4,4-dimethylpyrrolidin-3-yl)-3-phenylpropanamide;2,2,2-trifluoroacetic acid
CID 167810797
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
1-[(1S,4S)-2,2-dimethyl-3-methylidene-1-bicyclo[2.2.1]heptanyl]-3-phenylpropan-1-one
CID 162827825

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one (CID 107003801) is 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one is CC1(C)CC1C(=O)CCc1ccccc1.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one?
The InChIKey is YNLJJALEWHSSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2)10-12(14)13(15)9-8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one?
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one is sourced from PubChem (CID 107003801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).