5-ethoxy-1-methyl-2-phenyl-3-propylbenzene

C18H22O — CID 129045989

IUPAC5-ethoxy-1-methyl-2-phenyl-3-propylbenzene
SMILESCCCc1cc(OCC)cc(C)c1-c1ccccc1
InChIInChI=1S/C18H22O/c1-4-9-16-13-17(19-5-2)12-14(3)18(16)15-10-7-6-8-11-15/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyOHBIGMZDUYCIKY-UHFFFAOYSA-N
MW254.37 g/mol
LogP5.01
Rot. Bonds5

About 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene

5-ethoxy-1-methyl-2-phenyl-3-propylbenzene (PubChem CID 129045989) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene.

Molecular Properties

Compound Name5-ethoxy-1-methyl-2-phenyl-3-propylbenzene
PubChem CID129045989
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name5-ethoxy-1-methyl-2-phenyl-3-propylbenzene
SMILESCCCc1cc(OCC)cc(C)c1-c1ccccc1
InChIInChI=1S/C18H22O/c1-4-9-16-13-17(19-5-2)12-14(3)18(16)15-10-7-6-8-11-15/h6-8,10-13H,4-5,9H2,1-3H3
InChIKeyOHBIGMZDUYCIKY-UHFFFAOYSA-N
XLogP5.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene?
The IUPAC name of 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene (CID 129045989) is 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene.
What is the SMILES notation for 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene?
The canonical SMILES for 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene is CCCc1cc(OCC)cc(C)c1-c1ccccc1.
What is the InChIKey of 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene?
The InChIKey is OHBIGMZDUYCIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-4-9-16-13-17(19-5-2)12-14(3)18(16)15-10-7-6-8-11-15/h6-8,10-13H,4-5,9H2,1-3H3.
What are the key properties of 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene?
5-ethoxy-1-methyl-2-phenyl-3-propylbenzene has a molecular weight of 254.37 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-methyl-2-phenyl-3-propylbenzene is sourced from PubChem (CID 129045989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).