1-(2-adamantyl)-2-(3-methylphenyl)ethanone

C19H24O — CID 81099593

IUPAC1-(2-adamantyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H24O/c1-12-3-2-4-13(5-12)11-18(20)19-16-7-14-6-15(9-16)10-17(19)8-14/h2-5,14-17,19H,6-11H2,1H3
InChIKeyQJGNJJMEGDGPEZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.18
Rot. Bonds3

About 1-(2-adamantyl)-2-(3-methylphenyl)ethanone

1-(2-adamantyl)-2-(3-methylphenyl)ethanone (PubChem CID 81099593) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-(2-adamantyl)-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-adamantyl)-2-(3-methylphenyl)ethanone
PubChem CID81099593
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-(2-adamantyl)-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)C2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C19H24O/c1-12-3-2-4-13(5-12)11-18(20)19-16-7-14-6-15(9-16)10-17(19)8-14/h2-5,14-17,19H,6-11H2,1H3
InChIKeyQJGNJJMEGDGPEZ-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-2-(3-methylphenyl)ethanone
CID 62389784
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
1-[2-(aminomethyl)cyclohexyl]-2-(3-methylphenyl)ethanone
CID 116584625
azanium 2-(3-methylphenyl)acetate
CID 141323779
2-(3-methylphenyl)-1-(4-propylcyclohexyl)ethanone
CID 65424823
1-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)ethanone
CID 64904976
1-(3-methylphenyl)-3-phenylpropan-2-one
CID 14882321
1-(2,3-dihydro-1H-inden-1-yl)-2-(3-methylphenyl)ethanone
CID 65408183
1-cyclopentylsulfanyl-3-(3-methylphenyl)propan-2-one
CID 65138848
3-(methylcarbamoyl)-6-[2-(3-methylphenyl)acetyl]-1,2,3,3a,4,5,6,6a-octahydropentalene-1,4-dicarboxylic acid
CID 158387776
N-(2-adamantylmethyl)-2-(3-methylphenyl)ethanamine
CID 146000574
1-(2-adamantyl)-2-(2,4-dichlorophenyl)ethanone
CID 114967204

Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-(2-adamantyl)-2-(3-methylphenyl)ethanone (CID 81099593) is 1-(2-adamantyl)-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-(2-adamantyl)-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-(2-adamantyl)-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)C2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of 1-(2-adamantyl)-2-(3-methylphenyl)ethanone?
The InChIKey is QJGNJJMEGDGPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-12-3-2-4-13(5-12)11-18(20)19-16-7-14-6-15(9-16)10-17(19)8-14/h2-5,14-17,19H,6-11H2,1H3.
What are the key properties of 1-(2-adamantyl)-2-(3-methylphenyl)ethanone?
1-(2-adamantyl)-2-(3-methylphenyl)ethanone has a molecular weight of 268.40 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 81099593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).