2-(2-adamantyl)-1-phenylethanone

C18H22O — CID 10515134

IUPAC2-(2-adamantyl)-1-phenylethanone
SMILESO=C(CC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C18H22O/c19-18(14-4-2-1-3-5-14)11-17-15-7-12-6-13(9-15)10-16(17)8-12/h1-5,12-13,15-17H,6-11H2
InChIKeyHOSRODGIJVMHEP-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.33
Rot. Bonds3

About 2-(2-adamantyl)-1-phenylethanone

2-(2-adamantyl)-1-phenylethanone (PubChem CID 10515134) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-(2-adamantyl)-1-phenylethanone.

Molecular Properties

Compound Name2-(2-adamantyl)-1-phenylethanone
PubChem CID10515134
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name2-(2-adamantyl)-1-phenylethanone
SMILESO=C(CC1C2CC3CC(C2)CC1C3)c1ccccc1
InChIInChI=1S/C18H22O/c19-18(14-4-2-1-3-5-14)11-17-15-7-12-6-13(9-15)10-16(17)8-12/h1-5,12-13,15-17H,6-11H2
InChIKeyHOSRODGIJVMHEP-UHFFFAOYSA-N
XLogP4.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-adamantyl)-1-phenylethanone?
The IUPAC name of 2-(2-adamantyl)-1-phenylethanone (CID 10515134) is 2-(2-adamantyl)-1-phenylethanone.
What is the SMILES notation for 2-(2-adamantyl)-1-phenylethanone?
The canonical SMILES for 2-(2-adamantyl)-1-phenylethanone is O=C(CC1C2CC3CC(C2)CC1C3)c1ccccc1.
What is the InChIKey of 2-(2-adamantyl)-1-phenylethanone?
The InChIKey is HOSRODGIJVMHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c19-18(14-4-2-1-3-5-14)11-17-15-7-12-6-13(9-15)10-16(17)8-12/h1-5,12-13,15-17H,6-11H2.
What are the key properties of 2-(2-adamantyl)-1-phenylethanone?
2-(2-adamantyl)-1-phenylethanone has a molecular weight of 254.37 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-adamantyl)-1-phenylethanone is sourced from PubChem (CID 10515134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).