1-(2-ethenylphenyl)adamantane

C18H22 — CID 57212012

IUPAC1-(2-ethenylphenyl)adamantane
SMILESC=Cc1ccccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22/c1-2-16-5-3-4-6-17(16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15H,1,7-12H2
InChIKeyXMVSQPPPUOTODA-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.80
Rot. Bonds2

About 1-(2-ethenylphenyl)adamantane

1-(2-ethenylphenyl)adamantane (PubChem CID 57212012) has the molecular formula C18H22 and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(2-ethenylphenyl)adamantane.

Molecular Properties

Compound Name1-(2-ethenylphenyl)adamantane
PubChem CID57212012
Molecular FormulaC18H22
Molecular Weight238.37 g/mol
Exact Mass238.17
IUPAC Name1-(2-ethenylphenyl)adamantane
SMILESC=Cc1ccccc1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H22/c1-2-16-5-3-4-6-17(16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15H,1,7-12H2
InChIKeyXMVSQPPPUOTODA-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylphenyl)adamantane?
The IUPAC name of 1-(2-ethenylphenyl)adamantane (CID 57212012) is 1-(2-ethenylphenyl)adamantane.
What is the SMILES notation for 1-(2-ethenylphenyl)adamantane?
The canonical SMILES for 1-(2-ethenylphenyl)adamantane is C=Cc1ccccc1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(2-ethenylphenyl)adamantane?
The InChIKey is XMVSQPPPUOTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22/c1-2-16-5-3-4-6-17(16)18-10-13-7-14(11-18)9-15(8-13)12-18/h2-6,13-15H,1,7-12H2.
What are the key properties of 1-(2-ethenylphenyl)adamantane?
1-(2-ethenylphenyl)adamantane has a molecular weight of 238.37 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylphenyl)adamantane is sourced from PubChem (CID 57212012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).