2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one

C14H18O — CID 76612897

IUPAC2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
SMILESCC(C)(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H18O/c1-14(2,3)13(15)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyMKIAYZMITIUVOG-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.41
Rot. Bonds2

About 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one

2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one (PubChem CID 76612897) has the molecular formula C14H18O and a molecular weight of 202.30 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
PubChem CID76612897
Molecular FormulaC14H18O
Molecular Weight202.30 g/mol
Exact Mass202.14
IUPAC Name2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
SMILESCC(C)(C)C(=O)C1CC1c1ccccc1
InChIInChI=1S/C14H18O/c1-14(2,3)13(15)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3
InChIKeyMKIAYZMITIUVOG-UHFFFAOYSA-N
XLogP3.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-2-phenyl-1-(2-phenylcyclopropyl)propan-1-one
CID 116517019
2,2,2-trifluoro-1-[(1R,2R)-2-phenylcyclopropyl]ethanone
CID 45081115
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
2-methyl-1-(2-phenylcyclopropyl)-2-piperidin-3-ylpropan-1-one
CID 116611097
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 6104863
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363591
2-ethyl-1-(2-phenylcyclopropyl)-2-pyrrolidin-1-ylbutan-1-one
CID 116517097
2,2,3-trimethyl-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]amino]butanoic acid
CID 97234095

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one (CID 76612897) is 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one is CC(C)(C)C(=O)C1CC1c1ccccc1.
What is the InChIKey of 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one?
The InChIKey is MKIAYZMITIUVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O/c1-14(2,3)13(15)12-9-11(12)10-7-5-4-6-8-10/h4-8,11-12H,9H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one?
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one has a molecular weight of 202.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one is sourced from PubChem (CID 76612897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).