1-adamantyl(1-benzofuran-2-yl)methanone

C19H20O2 — CID 11630537

IUPAC1-adamantyl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H20O2/c20-18(17-8-15-3-1-2-4-16(15)21-17)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2
InChIKeyDJHUMOUXWCZAGU-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.83
Rot. Bonds2

About 1-adamantyl(1-benzofuran-2-yl)methanone

1-adamantyl(1-benzofuran-2-yl)methanone (PubChem CID 11630537) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-adamantyl(1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name1-adamantyl(1-benzofuran-2-yl)methanone
PubChem CID11630537
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name1-adamantyl(1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H20O2/c20-18(17-8-15-3-1-2-4-16(15)21-17)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2
InChIKeyDJHUMOUXWCZAGU-UHFFFAOYSA-N
XLogP4.83
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl-(6-amino-1-benzofuran-2-yl)methanone
CID 11500321
[1-(aminomethyl)cyclobutyl]-(1-benzofuran-2-yl)methanone
CID 114737161
2-(adamantane-1-carbonyl)benzo[f]chromen-3-one
CID 13067769
1-(1-benzofuran-2-yl)ethanone
CID 15435
1-benzofuran-2-carboxamide;hydrate;dihydrochloride
CID 144595737
1-benzofuran-2-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79403971
(4-methoxyphenyl) 1-benzofuran-2-carboxylate
CID 659898
1-adamantyl-(3,5-dimethylphenyl)methanone
CID 63409870
(3-aminoazetidin-1-yl)-(1-benzofuran-2-yl)methanone
CID 63755277
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1-benzofuran-2-yl-(4-propylpiperidin-4-yl)methanone
CID 114736543
1-benzofuran-2-yl-(3-methylpiperidin-3-yl)methanone
CID 114736550

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl(1-benzofuran-2-yl)methanone?
The IUPAC name of 1-adamantyl(1-benzofuran-2-yl)methanone (CID 11630537) is 1-adamantyl(1-benzofuran-2-yl)methanone.
What is the SMILES notation for 1-adamantyl(1-benzofuran-2-yl)methanone?
The canonical SMILES for 1-adamantyl(1-benzofuran-2-yl)methanone is O=C(c1cc2ccccc2o1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl(1-benzofuran-2-yl)methanone?
The InChIKey is DJHUMOUXWCZAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c20-18(17-8-15-3-1-2-4-16(15)21-17)19-9-12-5-13(10-19)7-14(6-12)11-19/h1-4,8,12-14H,5-7,9-11H2.
What are the key properties of 1-adamantyl(1-benzofuran-2-yl)methanone?
1-adamantyl(1-benzofuran-2-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl(1-benzofuran-2-yl)methanone is sourced from PubChem (CID 11630537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).