2-adamantyl-(2,3-dichlorophenyl)methanone

C17H18Cl2O — CID 114970494

IUPAC2-adamantyl-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H18Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15H,4-8H2
InChIKeyIUWCFCGQHNRUTP-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.25
Rot. Bonds2

About 2-adamantyl-(2,3-dichlorophenyl)methanone

2-adamantyl-(2,3-dichlorophenyl)methanone (PubChem CID 114970494) has the molecular formula C17H18Cl2O and a molecular weight of 309.24 g/mol. Its IUPAC name is 2-adamantyl-(2,3-dichlorophenyl)methanone.

Molecular Properties

Compound Name2-adamantyl-(2,3-dichlorophenyl)methanone
PubChem CID114970494
Molecular FormulaC17H18Cl2O
Molecular Weight309.24 g/mol
Exact Mass308.07
IUPAC Name2-adamantyl-(2,3-dichlorophenyl)methanone
SMILESO=C(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H18Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15H,4-8H2
InChIKeyIUWCFCGQHNRUTP-UHFFFAOYSA-N
XLogP5.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl-(2,3-dichlorophenyl)methanone?
The IUPAC name of 2-adamantyl-(2,3-dichlorophenyl)methanone (CID 114970494) is 2-adamantyl-(2,3-dichlorophenyl)methanone.
What is the SMILES notation for 2-adamantyl-(2,3-dichlorophenyl)methanone?
The canonical SMILES for 2-adamantyl-(2,3-dichlorophenyl)methanone is O=C(c1cccc(Cl)c1Cl)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl-(2,3-dichlorophenyl)methanone?
The InChIKey is IUWCFCGQHNRUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2O/c18-14-3-1-2-13(16(14)19)17(20)15-11-5-9-4-10(7-11)8-12(15)6-9/h1-3,9-12,15H,4-8H2.
What are the key properties of 2-adamantyl-(2,3-dichlorophenyl)methanone?
2-adamantyl-(2,3-dichlorophenyl)methanone has a molecular weight of 309.24 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl-(2,3-dichlorophenyl)methanone is sourced from PubChem (CID 114970494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).