[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium

C20H21O3Y- — CID 58669309

IUPAC[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
SMILESCOc1ccc(C2(c3ccc(O[C-]=O)cc3)CCCCC2)cc1.[Y]
InChIInChI=1S/C20H21O3.Y/c1-22-18-9-5-16(6-10-18)20(13-3-2-4-14-20)17-7-11-19(12-8-17)23-15-21;/h5-12H,2-4,13-14H2,1H3;/q-1;
InChIKeyLFJSKNSXPQIOHK-UHFFFAOYSA-N
MW398.29 g/mol
LogP4.39
Rot. Bonds5

About [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium

[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium (PubChem CID 58669309) has the molecular formula C20H21O3Y- and a molecular weight of 398.29 g/mol. Its IUPAC name is [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium.

Molecular Properties

Compound Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
PubChem CID58669309
Molecular FormulaC20H21O3Y-
Molecular Weight398.29 g/mol
Exact Mass398.06
IUPAC Name[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium
SMILESCOc1ccc(C2(c3ccc(O[C-]=O)cc3)CCCCC2)cc1.[Y]
InChIInChI=1S/C20H21O3.Y/c1-22-18-9-5-16(6-10-18)20(13-3-2-4-14-20)17-7-11-19(12-8-17)23-15-21;/h5-12H,2-4,13-14H2,1H3;/q-1;
InChIKeyLFJSKNSXPQIOHK-UHFFFAOYSA-N
XLogP4.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.29
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate;tungsten
CID 160932585
[4-[1-(4-methoxyphenyl)cyclopentyl]phenyl] acetate
CID 22899845
2-[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]ethanol
CID 90294446
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-methoxy-4-[1-[4-(methoxymethoxy)phenyl]cyclopentyl]benzene
CID 140897916
[4-[1-(4-methoxyphenyl)cyclobutyl]phenyl] acetate
CID 90310480
1-(4-methoxyphenyl)-1-[4-(2-methylbutan-2-yloxy)phenyl]cyclododecane
CID 146482116
[4-[1-(4-methoxyphenyl)cyclododecyl]phenyl] 3-acetylbenzoate
CID 153428107
[4-[1-(4-methoxyphenyl)cyclohexyl]phenyl] 2-(4-acetylphenyl)acetate
CID 149336494
1-[4-[1-[4-(2-oxopropoxy)phenyl]cyclohexyl]phenoxy]propan-2-one
CID 138403046
1-methoxy-4-(1,2,2-trimethylcyclopentyl)benzene
CID 11252954
1-[5-[1-(4-methoxyphenyl)cyclobutyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853255

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium?
The IUPAC name of [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium (CID 58669309) is [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium.
What is the SMILES notation for [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium?
The canonical SMILES for [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium is COc1ccc(C2(c3ccc(O[C-]=O)cc3)CCCCC2)cc1.[Y].
What is the InChIKey of [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium?
The InChIKey is LFJSKNSXPQIOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21O3.Y/c1-22-18-9-5-16(6-10-18)20(13-3-2-4-14-20)17-7-11-19(12-8-17)23-15-21;/h5-12H,2-4,13-14H2,1H3;/q-1;.
What are the key properties of [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium?
[4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium has a molecular weight of 398.29 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-methoxyphenyl)cyclohexyl]phenoxy]methanone;yttrium is sourced from PubChem (CID 58669309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).