1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene

C18H20O2 — CID 70042387

IUPAC1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene
SMILESC=Cc1ccc(OC(OCC)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-4-15-8-12-17(13-9-15)20-18(19-5-2)16-10-6-14(3)7-11-16/h4,6-13,18H,1,5H2,2-3H3
InChIKeyAOLHDEIUUGUIKW-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.75
Rot. Bonds6

About 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene

1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene (PubChem CID 70042387) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene
PubChem CID70042387
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene
SMILESC=Cc1ccc(OC(OCC)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20O2/c1-4-15-8-12-17(13-9-15)20-18(19-5-2)16-10-6-14(3)7-11-16/h4,6-13,18H,1,5H2,2-3H3
InChIKeyAOLHDEIUUGUIKW-UHFFFAOYSA-N
XLogP4.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene?
The IUPAC name of 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene (CID 70042387) is 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene.
What is the SMILES notation for 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene?
The canonical SMILES for 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene is C=Cc1ccc(OC(OCC)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene?
The InChIKey is AOLHDEIUUGUIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-15-8-12-17(13-9-15)20-18(19-5-2)16-10-6-14(3)7-11-16/h4,6-13,18H,1,5H2,2-3H3.
What are the key properties of 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene?
1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene has a molecular weight of 268.36 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[ethoxy-(4-methylphenyl)methoxy]benzene is sourced from PubChem (CID 70042387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).