1-adamantyl-(3,5-dimethylphenyl)methanone

C19H24O — CID 63409870

IUPAC1-adamantyl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24O/c1-12-3-13(2)5-17(4-12)18(20)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3
InChIKeyDYRLFOKNSXTWMC-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.70
Rot. Bonds2

About 1-adamantyl-(3,5-dimethylphenyl)methanone

1-adamantyl-(3,5-dimethylphenyl)methanone (PubChem CID 63409870) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-adamantyl-(3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name1-adamantyl-(3,5-dimethylphenyl)methanone
PubChem CID63409870
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-adamantyl-(3,5-dimethylphenyl)methanone
SMILESCc1cc(C)cc(C(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H24O/c1-12-3-13(2)5-17(4-12)18(20)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3
InChIKeyDYRLFOKNSXTWMC-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(3,5-dimethylphenyl)methanone?
The IUPAC name of 1-adamantyl-(3,5-dimethylphenyl)methanone (CID 63409870) is 1-adamantyl-(3,5-dimethylphenyl)methanone.
What is the SMILES notation for 1-adamantyl-(3,5-dimethylphenyl)methanone?
The canonical SMILES for 1-adamantyl-(3,5-dimethylphenyl)methanone is Cc1cc(C)cc(C(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-adamantyl-(3,5-dimethylphenyl)methanone?
The InChIKey is DYRLFOKNSXTWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-12-3-13(2)5-17(4-12)18(20)19-9-14-6-15(10-19)8-16(7-14)11-19/h3-5,14-16H,6-11H2,1-2H3.
What are the key properties of 1-adamantyl-(3,5-dimethylphenyl)methanone?
1-adamantyl-(3,5-dimethylphenyl)methanone has a molecular weight of 268.40 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(3,5-dimethylphenyl)methanone is sourced from PubChem (CID 63409870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).