2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone

C18H26O2 — CID 106682017

IUPAC2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H26O2/c1-13-10-14(2)18(17(11-13)20-3)16(19)12-15-8-6-4-5-7-9-15/h10-11,15H,4-9,12H2,1-3H3
InChIKeyJJQMOYDZRXPCOC-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.86
Rot. Bonds4

About 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone

2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone (PubChem CID 106682017) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
PubChem CID106682017
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone
SMILESCOc1cc(C)cc(C)c1C(=O)CC1CCCCCC1
InChIInChI=1S/C18H26O2/c1-13-10-14(2)18(17(11-13)20-3)16(19)12-15-8-6-4-5-7-9-15/h10-11,15H,4-9,12H2,1-3H3
InChIKeyJJQMOYDZRXPCOC-UHFFFAOYSA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxy-4,6-dimethylphenyl)-2-(oxan-2-yl)ethanone
CID 106680079
2-cyclohexyl-2-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)ethanone
CID 106680136
2-cyclopentyl-1-(3-methoxy-4-methylphenyl)ethanone
CID 114969347
cyclopropyl-(2-methoxy-4,6-dimethylphenyl)methanone
CID 82491880
1-(5-bromo-2-methoxy-4-methylphenyl)-2-cyclohexylethanone
CID 65439529
1-(2-methoxy-4,6-dimethylphenyl)-2-methylsulfanylethanone
CID 106679943
5-(2-methoxy-4,6-dimethylphenyl)-5-oxopentanoic acid
CID 98784357
4-hydroxy-1-(2-methoxy-4,6-dimethylphenyl)butan-1-one
CID 96659252
(2-methoxy-4,6-dimethylphenyl)-piperidin-2-ylmethanone
CID 82498560
1-(2-methoxy-4,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 106681968
1-(2-methoxy-4,6-dimethylphenyl)-3-(methylamino)propan-1-one
CID 96672338
2-cycloheptyl-1-(3,5-dimethoxyphenyl)ethanone
CID 115785355

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The IUPAC name of 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone (CID 106682017) is 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone.
What is the SMILES notation for 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The canonical SMILES for 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone is COc1cc(C)cc(C)c1C(=O)CC1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
The InChIKey is JJQMOYDZRXPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13-10-14(2)18(17(11-13)20-3)16(19)12-15-8-6-4-5-7-9-15/h10-11,15H,4-9,12H2,1-3H3.
What are the key properties of 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone?
2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-1-(2-methoxy-4,6-dimethylphenyl)ethanone is sourced from PubChem (CID 106682017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).