1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene

C21H26O2 — CID 11551348

IUPAC1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
SMILESCCOc1ccc(C2(c3ccccc3OC)CCCCC2)cc1
InChIInChI=1S/C21H26O2/c1-3-23-18-13-11-17(12-14-18)21(15-7-4-8-16-21)19-9-5-6-10-20(19)22-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3
InChIKeyOXOMMPPGWNZEFC-UHFFFAOYSA-N
MW310.44 g/mol
LogP5.34
Rot. Bonds5

About 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene

1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene (PubChem CID 11551348) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene.

Molecular Properties

Compound Name1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
PubChem CID11551348
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene
SMILESCCOc1ccc(C2(c3ccccc3OC)CCCCC2)cc1
InChIInChI=1S/C21H26O2/c1-3-23-18-13-11-17(12-14-18)21(15-7-4-8-16-21)19-9-5-6-10-20(19)22-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3
InChIKeyOXOMMPPGWNZEFC-UHFFFAOYSA-N
XLogP5.34
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene?
The IUPAC name of 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene (CID 11551348) is 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene.
What is the SMILES notation for 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene?
The canonical SMILES for 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene is CCOc1ccc(C2(c3ccccc3OC)CCCCC2)cc1.
What is the InChIKey of 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene?
The InChIKey is OXOMMPPGWNZEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-3-23-18-13-11-17(12-14-18)21(15-7-4-8-16-21)19-9-5-6-10-20(19)22-2/h5-6,9-14H,3-4,7-8,15-16H2,1-2H3.
What are the key properties of 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene?
1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene has a molecular weight of 310.44 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-[1-(2-methoxyphenyl)cyclohexyl]benzene is sourced from PubChem (CID 11551348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).