(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone

C13H16O2 — CID 107003800

IUPAC(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CC1(C)C
InChIInChI=1S/C13H16O2/c1-13(2)8-10(13)12(14)9-6-4-5-7-11(9)15-3/h4-7,10H,8H2,1-3H3
InChIKeyDTPUOJORHNNQFO-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.92
Rot. Bonds3

About (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone

(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone (PubChem CID 107003800) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
PubChem CID107003800
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)C1CC1(C)C
InChIInChI=1S/C13H16O2/c1-13(2)8-10(13)12(14)9-6-4-5-7-11(9)15-3/h4-7,10H,8H2,1-3H3
InChIKeyDTPUOJORHNNQFO-UHFFFAOYSA-N
XLogP2.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cyclooctyl-(2-methoxyphenyl)methanone
CID 80602820
(2-methoxyphenyl)-(2-methylcyclobutyl)methanone
CID 71020472
6-bicyclo[3.1.0]hexanyl-(2-methoxyphenyl)methanone
CID 114962813
(2-methoxyphenyl)-piperidin-4-ylmethanone
CID 20613843
methyl 4-(2-methoxybenzoyl)cyclohexane-1-carboxylate
CID 67302137
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 115269834
2-(2-methoxybenzoyl)cyclopentane-1-carboxylic acid
CID 53411585
[(3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-(2-methoxyphenyl)methanone
CID 121370764
(2-methoxyphenyl)-(8-oxabicyclo[3.2.1]octan-3-yl)methanone
CID 171944243
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
2-methoxybenzoyl iodide
CID 139677083
CID 135043978
CID 135043978

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone?
The IUPAC name of (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone (CID 107003800) is (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)C1CC1(C)C.
What is the InChIKey of (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone?
The InChIKey is DTPUOJORHNNQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-13(2)8-10(13)12(14)9-6-4-5-7-11(9)15-3/h4-7,10H,8H2,1-3H3.
What are the key properties of (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone?
(2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopropyl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 107003800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).