cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone

C13H16O2 — CID 82491880

IUPACcyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CC1
InChIInChI=1S/C13H16O2/c1-8-6-9(2)12(11(7-8)15-3)13(14)10-4-5-10/h6-7,10H,4-5H2,1-3H3
InChIKeyREGGAWYFKPVOPT-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.90
Rot. Bonds3

About cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone

cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone (PubChem CID 82491880) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Namecyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
PubChem CID82491880
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Namecyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
SMILESCOc1cc(C)cc(C)c1C(=O)C1CC1
InChIInChI=1S/C13H16O2/c1-8-6-9(2)12(11(7-8)15-3)13(14)10-4-5-10/h6-7,10H,4-5H2,1-3H3
InChIKeyREGGAWYFKPVOPT-UHFFFAOYSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxy-4,6-dimethylbenzoyl)cyclohexan-1-one
CID 116920294
(4-hydroxycyclohexyl)-(2,4,6-trimethylphenyl)methanone
CID 116920159
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
(2-methoxy-4,6-dimethylphenyl)-(3-methyloxan-4-yl)methanone
CID 114241890
(4-aminocyclopent-2-en-1-yl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681762
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679968
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106682017
cyclopropyl-(2,4-dichloro-6-methoxyphenyl)methanone
CID 82554125
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
(2-chloro-4,6-dimethoxyphenyl)-cyclopropylmethanone
CID 90303693
ethyl 1-(2-methoxy-4,6-dimethylbenzoyl)piperidine-4-carboxylate
CID 110764961
(2-methoxy-4,6-dimethylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 110764973

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The IUPAC name of cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone (CID 82491880) is cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone.
What is the SMILES notation for cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The canonical SMILES for cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone is COc1cc(C)cc(C)c1C(=O)C1CC1.
What is the InChIKey of cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone?
The InChIKey is REGGAWYFKPVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-8-6-9(2)12(11(7-8)15-3)13(14)10-4-5-10/h6-7,10H,4-5H2,1-3H3.
What are the key properties of cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone?
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone has a molecular weight of 204.27 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 82491880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).