ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene

C23H26O2 — CID 67262862

IUPACethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
SMILESCCOCC.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O.C4H10O/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;1-3-5-4-2/h2-14H,1H3;3-4H2,1-2H3
InChIKeyAIAVHSXWLJJMNT-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.50
Rot. Bonds5

About ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene

ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene (PubChem CID 67262862) has the molecular formula C23H26O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene.

Molecular Properties

Compound Nameethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
PubChem CID67262862
Molecular FormulaC23H26O2
Molecular Weight334.46 g/mol
Exact Mass334.19
IUPAC Nameethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene
SMILESCCOCC.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C19H16O.C4H10O/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;1-3-5-4-2/h2-14H,1H3;3-4H2,1-2H3
InChIKeyAIAVHSXWLJJMNT-UHFFFAOYSA-N
XLogP6.50
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene?
The IUPAC name of ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene (CID 67262862) is ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene.
What is the SMILES notation for ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene?
The canonical SMILES for ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene is CCOCC.Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene?
The InChIKey is AIAVHSXWLJJMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O.C4H10O/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16;1-3-5-4-2/h2-14H,1H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene?
ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene has a molecular weight of 334.46 g/mol, XLogP of 6.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;1-methyl-4-(4-phenylphenoxy)benzene is sourced from PubChem (CID 67262862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).