(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone

C16H22O — CID 107000654

IUPAC(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CC2(C)C)cc1
InChIInChI=1S/C16H22O/c1-11(2)9-12-5-7-13(8-6-12)15(17)14-10-16(14,3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyOWPQNMSKBGQWMW-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.11
Rot. Bonds4

About (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone

(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 107000654) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID107000654
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)C2CC2(C)C)cc1
InChIInChI=1S/C16H22O/c1-11(2)9-12-5-7-13(8-6-12)15(17)14-10-16(14,3)4/h5-8,11,14H,9-10H2,1-4H3
InChIKeyOWPQNMSKBGQWMW-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-methylpropyl)phenyl]-(oxan-4-yl)methanone
CID 62906178
(2,2-dimethylcyclopropyl)-(4-iodophenyl)methanone
CID 107000656
trans-(1S,2R)-1-methyl-2-[4-(2-methylpropyl)phenyl]cyclopropane-1-carboxylic acid
CID 178202546
[4-(2-methylpropyl)phenyl]-pyrrolidin-2-ylmethanone
CID 64868969
N-[4-(2,2-dimethylcyclopropanecarbonyl)phenyl]ethanesulfonamide
CID 107000679
[4-(2-methylpropyl)phenyl]-morpholin-3-ylmethanone
CID 116919590
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]acetonitrile
CID 60500740
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
amino 4-(2-methylpropyl)benzoate
CID 163714335
[1-(hydroxymethyl)cyclobutyl]-[4-(2-methylpropyl)phenyl]methanone
CID 116921925

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone (CID 107000654) is (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)C2CC2(C)C)cc1.
What is the InChIKey of (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is OWPQNMSKBGQWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-11(2)9-12-5-7-13(8-6-12)15(17)14-10-16(14,3)4/h5-8,11,14H,9-10H2,1-4H3.
What are the key properties of (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone?
(2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 230.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 107000654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).