1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene

C17H18O — CID 146207434

IUPAC1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
SMILESC=C(OCC)c1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C17H18O/c1-4-18-14(3)15-8-6-10-17(12-15)16-9-5-7-13(2)11-16/h5-12H,3-4H2,1-2H3
InChIKeyJTKBCKCWRVEGDI-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.67
Rot. Bonds4

About 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene

1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene (PubChem CID 146207434) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene.

Molecular Properties

Compound Name1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
PubChem CID146207434
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene
SMILESC=C(OCC)c1cccc(-c2cccc(C)c2)c1
InChIInChI=1S/C17H18O/c1-4-18-14(3)15-8-6-10-17(12-15)16-9-5-7-13(2)11-16/h5-12H,3-4H2,1-2H3
InChIKeyJTKBCKCWRVEGDI-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene?
The IUPAC name of 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene (CID 146207434) is 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene.
What is the SMILES notation for 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene?
The canonical SMILES for 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene is C=C(OCC)c1cccc(-c2cccc(C)c2)c1.
What is the InChIKey of 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene?
The InChIKey is JTKBCKCWRVEGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-4-18-14(3)15-8-6-10-17(12-15)16-9-5-7-13(2)11-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene?
1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene has a molecular weight of 238.33 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxyethenyl)-3-(3-methylphenyl)benzene is sourced from PubChem (CID 146207434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).