(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone

C18H26O2 — CID 116749465

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(CC)cc2)CCC(C)CC1
InChIInChI=1S/C18H26O2/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyQXFGEFJYHYZKIW-UHFFFAOYSA-N
MW274.40 g/mol
LogP4.42
Rot. Bonds5

About (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone

(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone (PubChem CID 116749465) has the molecular formula C18H26O2 and a molecular weight of 274.40 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
PubChem CID116749465
Molecular FormulaC18H26O2
Molecular Weight274.40 g/mol
Exact Mass274.19
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone
SMILESCCOC1(C(=O)c2ccc(CC)cc2)CCC(C)CC1
InChIInChI=1S/C18H26O2/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14H,4-5,10-13H2,1-3H3
InChIKeyQXFGEFJYHYZKIW-UHFFFAOYSA-N
XLogP4.42
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 ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749233
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
[1-(dimethylamino)-4-methylcyclohexyl]-(4-ethylphenyl)methanone
CID 79066837
ethyl 1-ethoxy-4-methylcyclohexane-1-carboxylate
CID 129125852
(5-chlorothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749362
(4-ethylphenyl)-(4-methylcyclohexyl)methanone
CID 63409487
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
1-(1-ethoxy-4-methylcyclohexyl)-2-(3-fluorophenyl)ethanone
CID 116749463
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(3-ethylphenyl)methanone
CID 116748270
(2-amino-3-pyridinyl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 116749351
(1-ethoxy-4-methylcyclohexyl)-(1-propylimidazol-2-yl)methanone
CID 116749514

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone (CID 116749465) is (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone is CCOC1(C(=O)c2ccc(CC)cc2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone?
The InChIKey is QXFGEFJYHYZKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O2/c1-4-15-6-8-16(9-7-15)17(19)18(20-5-2)12-10-14(3)11-13-18/h6-9,14H,4-5,10-13H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone?
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone has a molecular weight of 274.40 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 116749465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).