1,1'-biphenyl;ethene;ethoxyethane

C18H24O — CID 155168221

IUPAC1,1'-biphenyl;ethene;ethoxyethane
SMILESC=C.CCOCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2/h1-10H;3-4H2,1-2H3;1-2H2
InChIKeyCYSSJBTZRKNEAF-UHFFFAOYSA-N
MW256.39 g/mol
LogP5.20
Rot. Bonds3

About 1,1'-biphenyl;ethene;ethoxyethane

1,1'-biphenyl;ethene;ethoxyethane (PubChem CID 155168221) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1,1'-biphenyl;ethene;ethoxyethane.

Molecular Properties

Compound Name1,1'-biphenyl;ethene;ethoxyethane
PubChem CID155168221
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1,1'-biphenyl;ethene;ethoxyethane
SMILESC=C.CCOCC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H10O.C2H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2/h1-10H;3-4H2,1-2H3;1-2H2
InChIKeyCYSSJBTZRKNEAF-UHFFFAOYSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethene;ethoxyethane?
The IUPAC name of 1,1'-biphenyl;ethene;ethoxyethane (CID 155168221) is 1,1'-biphenyl;ethene;ethoxyethane.
What is the SMILES notation for 1,1'-biphenyl;ethene;ethoxyethane?
The canonical SMILES for 1,1'-biphenyl;ethene;ethoxyethane is C=C.CCOCC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethene;ethoxyethane?
The InChIKey is CYSSJBTZRKNEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H10O.C2H4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-5-4-2;1-2/h1-10H;3-4H2,1-2H3;1-2H2.
What are the key properties of 1,1'-biphenyl;ethene;ethoxyethane?
1,1'-biphenyl;ethene;ethoxyethane has a molecular weight of 256.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethene;ethoxyethane is sourced from PubChem (CID 155168221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).