1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one

C18H26O2 — CID 116751239

IUPAC1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-3-20-18(16-7-5-4-6-8-16)17(19)13-15-11-9-14(2)10-12-15/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeySOSASJMUWUBDRL-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.09
Rot. Bonds6

About 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one

1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one (PubChem CID 116751239) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
PubChem CID116751239
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
SMILESCCOC(C(=O)Cc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C18H26O2/c1-3-20-18(16-7-5-4-6-8-16)17(19)13-15-11-9-14(2)10-12-15/h9-12,16,18H,3-8,13H2,1-2H3
InChIKeySOSASJMUWUBDRL-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(4-methylphenyl)propan-2-one
CID 116709353
1-cyclopropyl-1-ethoxy-3-(4-fluorophenyl)propan-2-one
CID 116709210
1-cyclohexyl-1-ethoxy-3-(2-methylphenyl)propan-2-one
CID 116751204
1-cyclohexyl-1-ethoxy-3-(1-ethylpyrazol-4-yl)propan-2-one
CID 116751208
1-cyclohexyl-3-(2,3-dichlorophenyl)-1-ethoxypropan-2-one
CID 107308047
1-cyclohexyl-3-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 116751294
1-cycloheptyl-1-ethoxypentan-2-one
CID 83226001
1-cyclohexyl-1-ethoxy-3-(1-methylimidazol-2-yl)propan-2-one
CID 116751307
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1,2-dicyclohexyl-2-ethoxyethanone
CID 70193866
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-cyclohexyl-2-ethoxy-1-(3-ethylphenyl)ethanone
CID 116751155

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The IUPAC name of 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one (CID 116751239) is 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one is CCOC(C(=O)Cc1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
The InChIKey is SOSASJMUWUBDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-3-20-18(16-7-5-4-6-8-16)17(19)13-15-11-9-14(2)10-12-15/h9-12,16,18H,3-8,13H2,1-2H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one?
1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one has a molecular weight of 274.40 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-3-(4-methylphenyl)propan-2-one is sourced from PubChem (CID 116751239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).