1-(4-phenyl-1-adamantyl)ethanone

C18H22O — CID 134195277

IUPAC1-(4-phenyl-1-adamantyl)ethanone
SMILESCC(=O)C12CC3CC(C1)C(c1ccccc1)C(C3)C2
InChIInChI=1S/C18H22O/c1-12(19)18-9-13-7-15(10-18)17(16(8-13)11-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-11H2,1H3
InChIKeyATENJQWGWAKYJP-UHFFFAOYSA-N
MW254.37 g/mol
LogP4.19
Rot. Bonds2

About 1-(4-phenyl-1-adamantyl)ethanone

1-(4-phenyl-1-adamantyl)ethanone (PubChem CID 134195277) has the molecular formula C18H22O and a molecular weight of 254.37 g/mol. Its IUPAC name is 1-(4-phenyl-1-adamantyl)ethanone.

Molecular Properties

Compound Name1-(4-phenyl-1-adamantyl)ethanone
PubChem CID134195277
Molecular FormulaC18H22O
Molecular Weight254.37 g/mol
Exact Mass254.17
IUPAC Name1-(4-phenyl-1-adamantyl)ethanone
SMILESCC(=O)C12CC3CC(C1)C(c1ccccc1)C(C3)C2
InChIInChI=1S/C18H22O/c1-12(19)18-9-13-7-15(10-18)17(16(8-13)11-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-11H2,1H3
InChIKeyATENJQWGWAKYJP-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-hydroxy-1-adamantyl)ethanone
CID 14147100
N-phenylacetamide;2-phenyladamantane
CID 175533998
1-(2-phenyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 59686917
3-(1-adamantyl)-2-methyl-3-phenylprop-2-enoic acid
CID 68789532
(4-phenyl-2-adamantyl) acetate
CID 57238694
(1,2-diphenylcyclopropanecarbonyl) adamantane-1-carboxylate
CID 134970549
1-[(2R,3S)-2,3-diphenylcyclopropyl]ethanone
CID 101070996
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
N-[4-(5-acetyl-2-adamantyl)-2-methyl-3-oxobutan-2-yl]-N-ethyl-2-methylbenzenesulfonamide
CID 158399824
bis(adamantane-1-carboxylic acid);iodobenzene
CID 175091348
1-(6-benzyl-3-tricyclo[3.3.1.03,7]nonanyl)ethanone
CID 59686926
S-phenyl adamantane-1-carbothioate
CID 139084175

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1-adamantyl)ethanone?
The IUPAC name of 1-(4-phenyl-1-adamantyl)ethanone (CID 134195277) is 1-(4-phenyl-1-adamantyl)ethanone.
What is the SMILES notation for 1-(4-phenyl-1-adamantyl)ethanone?
The canonical SMILES for 1-(4-phenyl-1-adamantyl)ethanone is CC(=O)C12CC3CC(C1)C(c1ccccc1)C(C3)C2.
What is the InChIKey of 1-(4-phenyl-1-adamantyl)ethanone?
The InChIKey is ATENJQWGWAKYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O/c1-12(19)18-9-13-7-15(10-18)17(16(8-13)11-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-11H2,1H3.
What are the key properties of 1-(4-phenyl-1-adamantyl)ethanone?
1-(4-phenyl-1-adamantyl)ethanone has a molecular weight of 254.37 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1-adamantyl)ethanone is sourced from PubChem (CID 134195277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).