1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene

C22H26O2 — CID 142319320

IUPAC1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene
SMILESC=C(Oc1ccc(OC)cc1)C1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26O2/c1-16-4-6-19(7-5-16)20-10-8-18(9-11-20)17(2)24-22-14-12-21(23-3)13-15-22/h4-7,12-15,18,20H,2,8-11H2,1,3H3
InChIKeyXDEPOLVVHIKSIL-UHFFFAOYSA-N
MW322.45 g/mol
LogP5.87
Rot. Bonds5

About 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene

1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene (PubChem CID 142319320) has the molecular formula C22H26O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene
PubChem CID142319320
Molecular FormulaC22H26O2
Molecular Weight322.45 g/mol
Exact Mass322.19
IUPAC Name1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene
SMILESC=C(Oc1ccc(OC)cc1)C1CCC(c2ccc(C)cc2)CC1
InChIInChI=1S/C22H26O2/c1-16-4-6-19(7-5-16)20-10-8-18(9-11-20)17(2)24-22-14-12-21(23-3)13-15-22/h4-7,12-15,18,20H,2,8-11H2,1,3H3
InChIKeyXDEPOLVVHIKSIL-UHFFFAOYSA-N
XLogP5.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.45
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene?
The IUPAC name of 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene (CID 142319320) is 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene.
What is the SMILES notation for 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene?
The canonical SMILES for 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene is C=C(Oc1ccc(OC)cc1)C1CCC(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene?
The InChIKey is XDEPOLVVHIKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O2/c1-16-4-6-19(7-5-16)20-10-8-18(9-11-20)17(2)24-22-14-12-21(23-3)13-15-22/h4-7,12-15,18,20H,2,8-11H2,1,3H3.
What are the key properties of 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene?
1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene has a molecular weight of 322.45 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-[4-(4-methylphenyl)cyclohexyl]ethenoxy]benzene is sourced from PubChem (CID 142319320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).