1-adamantyl-(4-propan-2-ylphenyl)methanone

C20H26O — CID 43625037

IUPAC1-adamantyl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26O/c1-13(2)17-3-5-18(6-4-17)19(21)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3
InChIKeyUJKLHSWHLAAHPS-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.21
Rot. Bonds3

About 1-adamantyl-(4-propan-2-ylphenyl)methanone

1-adamantyl-(4-propan-2-ylphenyl)methanone (PubChem CID 43625037) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-adamantyl-(4-propan-2-ylphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(4-propan-2-ylphenyl)methanone
PubChem CID43625037
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1-adamantyl-(4-propan-2-ylphenyl)methanone
SMILESCC(C)c1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C20H26O/c1-13(2)17-3-5-18(6-4-17)19(21)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3
InChIKeyUJKLHSWHLAAHPS-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(Z)-1-(1-adamantyl)propylideneamino]-4-propan-2-ylbenzamide
CID 6369862
1-adamantyl-(3,5-dimethylphenyl)methanone
CID 63409870
1-adamantyl-(6-methyl-3-pyridinyl)methanone
CID 55166588
1-adamantyl-(4-fluoro-3-methylphenyl)methanone
CID 62796901
1-adamantyl-(3-fluoro-4-methylphenyl)methanone
CID 107128298
1-adamantyl-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65298881
2-(1-adamantylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 84990626
1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 7489431
1-adamantyl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26063053
[2-(1-adamantylamino)-2-oxoethyl] 4-propan-2-ylbenzoate
CID 16521264
N-[2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-2-oxoethyl]adamantane-1-carboxamide
CID 31784528
1-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-(4-propan-2-ylphenoxy)propan-1-one
CID 108536065

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(4-propan-2-ylphenyl)methanone?
The IUPAC name of 1-adamantyl-(4-propan-2-ylphenyl)methanone (CID 43625037) is 1-adamantyl-(4-propan-2-ylphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(4-propan-2-ylphenyl)methanone?
The canonical SMILES for 1-adamantyl-(4-propan-2-ylphenyl)methanone is CC(C)c1ccc(C(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-adamantyl-(4-propan-2-ylphenyl)methanone?
The InChIKey is UJKLHSWHLAAHPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-13(2)17-3-5-18(6-4-17)19(21)20-10-14-7-15(11-20)9-16(8-14)12-20/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 1-adamantyl-(4-propan-2-ylphenyl)methanone?
1-adamantyl-(4-propan-2-ylphenyl)methanone has a molecular weight of 282.43 g/mol, XLogP of 5.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(4-propan-2-ylphenyl)methanone is sourced from PubChem (CID 43625037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).