1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone

C18H26O2 — CID 116749856

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2C)CCCC(C)C1
InChIInChI=1S/C18H26O2/c1-4-20-18(11-7-8-14(2)13-18)17(19)12-16-10-6-5-9-15(16)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3
InChIKeyDZULBFWZKAEDBD-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.09
Rot. Bonds5

About 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone

1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone (PubChem CID 116749856) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
PubChem CID116749856
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone
SMILESCCOC1(C(=O)Cc2ccccc2C)CCCC(C)C1
InChIInChI=1S/C18H26O2/c1-4-20-18(11-7-8-14(2)13-18)17(19)12-16-10-6-5-9-15(16)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3
InChIKeyDZULBFWZKAEDBD-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone (CID 116749856) is 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone is CCOC1(C(=O)Cc2ccccc2C)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone?
The InChIKey is DZULBFWZKAEDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-20-18(11-7-8-14(2)13-18)17(19)12-16-10-6-5-9-15(16)3/h5-6,9-10,14H,4,7-8,11-13H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone?
1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone has a molecular weight of 274.40 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 116749856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).