1,1'-biphenyl;1-ethenyl-2-methoxybenzene

C21H20O — CID 158702776

IUPAC1,1'-biphenyl;1-ethenyl-2-methoxybenzene
SMILESC=Cc1ccccc1OC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-8-6-4-5-7-9(8)10-2/h1-10H;3-7H,1H2,2H3
InChIKeyIHTHEZBCQWCYCD-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.69
Rot. Bonds3

About 1,1'-biphenyl;1-ethenyl-2-methoxybenzene

1,1'-biphenyl;1-ethenyl-2-methoxybenzene (PubChem CID 158702776) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1,1'-biphenyl;1-ethenyl-2-methoxybenzene.

Molecular Properties

Compound Name1,1'-biphenyl;1-ethenyl-2-methoxybenzene
PubChem CID158702776
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name1,1'-biphenyl;1-ethenyl-2-methoxybenzene
SMILESC=Cc1ccccc1OC.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-8-6-4-5-7-9(8)10-2/h1-10H;3-7H,1H2,2H3
InChIKeyIHTHEZBCQWCYCD-UHFFFAOYSA-N
XLogP5.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethenyl-2-(2-methoxyphenyl)benzene
CID 150139111
1-ethenyl-3-ethylbenzene;1-ethenyl-2-methoxybenzene
CID 122483401
CID 67878092
CID 67878092
ethane;1-ethenyl-3-methoxy-2-(4-methylphenyl)benzene
CID 145480510
benzene;(2-ethenylphenyl) acetate
CID 175577038
1-ethenyl-2-prop-2-enoxybenzene;2,3,4,5-tetraphenylcyclopenta-2,4-dien-1-one
CID 174952224
1,1'-biphenyl;1-bromo-2-ethenylbenzene
CID 162205107
4-[(2-methoxyphenyl)methylidene]-3-(4-phenylphenyl)-1,2-oxazol-5-one
CID 3567474
1-ethenyl-2-heptadecoxybenzene
CID 139672731
1-ethenyl-3-methoxy-2-[(Z)-prop-1-enyl]benzene
CID 88997100
(E)-N-ethoxy-1-(2-methoxyphenyl)methanimine
CID 11378847
1-ethenoxy-2-ethenylbenzene;propane
CID 166126256

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1-ethenyl-2-methoxybenzene?
The IUPAC name of 1,1'-biphenyl;1-ethenyl-2-methoxybenzene (CID 158702776) is 1,1'-biphenyl;1-ethenyl-2-methoxybenzene.
What is the SMILES notation for 1,1'-biphenyl;1-ethenyl-2-methoxybenzene?
The canonical SMILES for 1,1'-biphenyl;1-ethenyl-2-methoxybenzene is C=Cc1ccccc1OC.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;1-ethenyl-2-methoxybenzene?
The InChIKey is IHTHEZBCQWCYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C9H10O/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-3-8-6-4-5-7-9(8)10-2/h1-10H;3-7H,1H2,2H3.
What are the key properties of 1,1'-biphenyl;1-ethenyl-2-methoxybenzene?
1,1'-biphenyl;1-ethenyl-2-methoxybenzene has a molecular weight of 288.39 g/mol, XLogP of 5.69, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;1-ethenyl-2-methoxybenzene is sourced from PubChem (CID 158702776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).