1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene

C25H32O4 — CID 20718251

IUPAC1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC)cc3)CCCCC2)cc1
InChIInChI=1S/C25H32O4/c1-3-27-18-20-29-24-13-9-22(10-14-24)25(15-5-4-6-16-25)21-7-11-23(12-8-21)28-19-17-26-2/h3,7-14H,1,4-6,15-20H2,2H3
InChIKeyPOIXMOVPALSVDF-UHFFFAOYSA-N
MW396.53 g/mol
LogP5.50
Rot. Bonds11

About 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene

1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene (PubChem CID 20718251) has the molecular formula C25H32O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
PubChem CID20718251
Molecular FormulaC25H32O4
Molecular Weight396.53 g/mol
Exact Mass396.23
IUPAC Name1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
SMILESC=COCCOc1ccc(C2(c3ccc(OCCOC)cc3)CCCCC2)cc1
InChIInChI=1S/C25H32O4/c1-3-27-18-20-29-24-13-9-22(10-14-24)25(15-5-4-6-16-25)21-7-11-23(12-8-21)28-19-17-26-2/h3,7-14H,1,4-6,15-20H2,2H3
InChIKeyPOIXMOVPALSVDF-UHFFFAOYSA-N
XLogP5.50
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene?
The IUPAC name of 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene (CID 20718251) is 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene.
What is the SMILES notation for 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene?
The canonical SMILES for 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene is C=COCCOc1ccc(C2(c3ccc(OCCOC)cc3)CCCCC2)cc1.
What is the InChIKey of 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene?
The InChIKey is POIXMOVPALSVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O4/c1-3-27-18-20-29-24-13-9-22(10-14-24)25(15-5-4-6-16-25)21-7-11-23(12-8-21)28-19-17-26-2/h3,7-14H,1,4-6,15-20H2,2H3.
What are the key properties of 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene?
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene has a molecular weight of 396.53 g/mol, XLogP of 5.50, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene is sourced from PubChem (CID 20718251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).