1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene

C22H34O2 — CID 140653876

IUPAC1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
SMILESCCc1ccc(OC(CC2CCCCC2)OC2CCCCC2)cc1
InChIInChI=1S/C22H34O2/c1-2-18-13-15-21(16-14-18)24-22(17-19-9-5-3-6-10-19)23-20-11-7-4-8-12-20/h13-16,19-20,22H,2-12,17H2,1H3
InChIKeyPHUFUISNLDJXAO-UHFFFAOYSA-N
MW330.51 g/mol
LogP6.27
Rot. Bonds7

About 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene

1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene (PubChem CID 140653876) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene.

Molecular Properties

Compound Name1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
PubChem CID140653876
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene
SMILESCCc1ccc(OC(CC2CCCCC2)OC2CCCCC2)cc1
InChIInChI=1S/C22H34O2/c1-2-18-13-15-21(16-14-18)24-22(17-19-9-5-3-6-10-19)23-20-11-7-4-8-12-20/h13-16,19-20,22H,2-12,17H2,1H3
InChIKeyPHUFUISNLDJXAO-UHFFFAOYSA-N
XLogP6.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-cyclohexyl-1-ethoxyethoxy)-4-methylbenzene
CID 90367452
1-(1-cyclohexyloxypentoxy)-4-ethenylbenzene
CID 23504138
1-cyclopentyl-3-(4-ethylphenoxy)propan-2-ol
CID 103160577
1-(cyclohexylmethoxy)-4-ethylbenzene
CID 58865018
(4-ethylphenoxy)methylcycloheptane
CID 142027305
N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
1-[1-(2-cyclohexylethoxy)-2,2-dimethylpropoxy]-4-ethylbenzene
CID 140648633
[2-bromo-2-(4-ethylphenyl)ethyl]cycloheptane
CID 114458721
1-cyclohexyl-3-(4-ethylphenyl)-N-methylpropan-2-amine
CID 115802880
N-cyclopentyloxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 83228810
2-cycloheptyl-1-(4-ethylphenyl)-N-methylethanamine
CID 114457545
1-(1-cyclohexyloxyethoxy)-4-ethenylbenzene
CID 22057357

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene?
The IUPAC name of 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene (CID 140653876) is 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene.
What is the SMILES notation for 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene?
The canonical SMILES for 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene is CCc1ccc(OC(CC2CCCCC2)OC2CCCCC2)cc1.
What is the InChIKey of 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene?
The InChIKey is PHUFUISNLDJXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O2/c1-2-18-13-15-21(16-14-18)24-22(17-19-9-5-3-6-10-19)23-20-11-7-4-8-12-20/h13-16,19-20,22H,2-12,17H2,1H3.
What are the key properties of 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene?
1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene has a molecular weight of 330.51 g/mol, XLogP of 6.27, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexyl-1-cyclohexyloxyethoxy)-4-ethylbenzene is sourced from PubChem (CID 140653876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).