2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone

C18H26O2 — CID 43798246

IUPAC2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyYBOCKSJHMFBHJJ-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.35
Rot. Bonds5

About 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone

2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone (PubChem CID 43798246) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone.

Molecular Properties

Compound Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
PubChem CID43798246
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)c2ccccc2)C1
InChIInChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3
InChIKeyYBOCKSJHMFBHJJ-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 43798255
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 11086510
[(1R)-5-methyl-2-propan-2-ylcyclohexyl] benzoate
CID 12641355
phenacyl (1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexane-1-carboxylate
CID 73053416
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-N-(1-phenylethylsulfonyl)acetamide
CID 167875838
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
3-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]benzoic acid
CID 43099520
benzyl 2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]prop-2-enoate
CID 11255989
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone?
The IUPAC name of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone (CID 43798246) is 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone.
What is the SMILES notation for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone?
The canonical SMILES for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone is CC1CCC(C(C)C)C(OCC(=O)c2ccccc2)C1.
What is the InChIKey of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone?
The InChIKey is YBOCKSJHMFBHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-13(2)16-10-9-14(3)11-18(16)20-12-17(19)15-7-5-4-6-8-15/h4-8,13-14,16,18H,9-12H2,1-3H3.
What are the key properties of 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone?
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone has a molecular weight of 274.40 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone is sourced from PubChem (CID 43798246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).