1-(2-phenoxyphenyl)adamantane

C22H24O — CID 54125777

IUPAC1-(2-phenoxyphenyl)adamantane
SMILESc1ccc(Oc2ccccc2C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H24O/c1-2-6-19(7-3-1)23-21-9-5-4-8-20(21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2
InChIKeyLJOVKAYMVWYPKU-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.95
Rot. Bonds3

About 1-(2-phenoxyphenyl)adamantane

1-(2-phenoxyphenyl)adamantane (PubChem CID 54125777) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-(2-phenoxyphenyl)adamantane.

Molecular Properties

Compound Name1-(2-phenoxyphenyl)adamantane
PubChem CID54125777
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name1-(2-phenoxyphenyl)adamantane
SMILESc1ccc(Oc2ccccc2C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H24O/c1-2-6-19(7-3-1)23-21-9-5-4-8-20(21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2
InChIKeyLJOVKAYMVWYPKU-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyphenyl)adamantane?
The IUPAC name of 1-(2-phenoxyphenyl)adamantane (CID 54125777) is 1-(2-phenoxyphenyl)adamantane.
What is the SMILES notation for 1-(2-phenoxyphenyl)adamantane?
The canonical SMILES for 1-(2-phenoxyphenyl)adamantane is c1ccc(Oc2ccccc2C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(2-phenoxyphenyl)adamantane?
The InChIKey is LJOVKAYMVWYPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-2-6-19(7-3-1)23-21-9-5-4-8-20(21)22-13-16-10-17(14-22)12-18(11-16)15-22/h1-9,16-18H,10-15H2.
What are the key properties of 1-(2-phenoxyphenyl)adamantane?
1-(2-phenoxyphenyl)adamantane has a molecular weight of 304.43 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyphenyl)adamantane is sourced from PubChem (CID 54125777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).