2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one

C21H20O — CID 10755808

IUPAC2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C21H20O/c1-21(2,3)20(22)18-14-8-12-16-11-7-13-17(19(16)18)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyQPMWHDRXOWXTPZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP5.74
Rot. Bonds2

About 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one

2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one (PubChem CID 10755808) has the molecular formula C21H20O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
PubChem CID10755808
Molecular FormulaC21H20O
Molecular Weight288.39 g/mol
Exact Mass288.15
IUPAC Name2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one
SMILESCC(C)(C)C(=O)c1cccc2cccc(-c3ccccc3)c12
InChIInChI=1S/C21H20O/c1-21(2,3)20(22)18-14-8-12-16-11-7-13-17(19(16)18)15-9-5-4-6-10-15/h4-14H,1-3H3
InChIKeyQPMWHDRXOWXTPZ-UHFFFAOYSA-N
XLogP5.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.39
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one?
The IUPAC name of 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one (CID 10755808) is 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one is CC(C)(C)C(=O)c1cccc2cccc(-c3ccccc3)c12.
What is the InChIKey of 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one?
The InChIKey is QPMWHDRXOWXTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O/c1-21(2,3)20(22)18-14-8-12-16-11-7-13-17(19(16)18)15-9-5-4-6-10-15/h4-14H,1-3H3.
What are the key properties of 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one?
2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(8-phenylnaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 10755808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).