1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene

C28H40O4 — CID 139654696

IUPAC1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H40O4/c1-6-29-21(3)31-26-17-13-24(14-18-26)28(5,23-11-9-8-10-12-23)25-15-19-27(20-16-25)32-22(4)30-7-2/h13-23H,6-12H2,1-5H3
InChIKeyAQNRFGYTUHCVGL-UHFFFAOYSA-N
MW440.62 g/mol
LogP7.10
Rot. Bonds11

About 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene

1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene (PubChem CID 139654696) has the molecular formula C28H40O4 and a molecular weight of 440.62 g/mol. Its IUPAC name is 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene.

Molecular Properties

Compound Name1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
PubChem CID139654696
Molecular FormulaC28H40O4
Molecular Weight440.62 g/mol
Exact Mass440.29
IUPAC Name1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
SMILESCCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)C2CCCCC2)cc1
InChIInChI=1S/C28H40O4/c1-6-29-21(3)31-26-17-13-24(14-18-26)28(5,23-11-9-8-10-12-23)25-15-19-27(20-16-25)32-22(4)30-7-2/h13-23H,6-12H2,1-5H3
InChIKeyAQNRFGYTUHCVGL-UHFFFAOYSA-N
XLogP7.10
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.62
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1-bis[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene
CID 22726285
1,4-bis(1-ethoxyethoxy)benzene
CID 10934047
1,3-bis[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]benzene
CID 90815558
2-[[4-[2-[4-(1-ethoxyethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 23546553
1-(1-cyclohexyloxyethoxy)-4-[2-[4-(1-cyclohexyloxyethoxy)phenyl]propan-2-yl]benzene
CID 22726294
1-cyclohexyl-1-(4-propan-2-yloxyphenyl)ethanol
CID 114794846
1,4-bis[bis[4-(1-ethoxyethoxy)phenyl]methyl]benzene
CID 90276539
4-(1-ethoxyethoxy)aniline
CID 139920192
1-(1-ethoxyethoxy)-4-[4-(1-ethoxyethoxy)phenyl]tellanylbenzene
CID 140901390
1-[1-(2-cyclohexylethoxy)ethoxy]-4-(3,3-dimethylbutan-2-yl)benzene
CID 123347568
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
[4-[4-(1-ethoxyethoxy)phenyl]-2-methylbutan-2-yl]-oxosilane
CID 123166160

Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The IUPAC name of 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene (CID 139654696) is 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene.
What is the SMILES notation for 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The canonical SMILES for 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene is CCOC(C)Oc1ccc(C(C)(c2ccc(OC(C)OCC)cc2)C2CCCCC2)cc1.
What is the InChIKey of 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
The InChIKey is AQNRFGYTUHCVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40O4/c1-6-29-21(3)31-26-17-13-24(14-18-26)28(5,23-11-9-8-10-12-23)25-15-19-27(20-16-25)32-22(4)30-7-2/h13-23H,6-12H2,1-5H3.
What are the key properties of 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene?
1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene has a molecular weight of 440.62 g/mol, XLogP of 7.10, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-1-[4-(1-ethoxyethoxy)phenyl]ethyl]-4-(1-ethoxyethoxy)benzene is sourced from PubChem (CID 139654696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).