1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one

C20H20O — CID 141067012

IUPAC1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(C2C=C(C)C=C2C)ccc2ccccc12
InChIInChI=1S/C20H20O/c1-4-19(21)20-16-8-6-5-7-15(16)9-10-17(20)18-12-13(2)11-14(18)3/h5-12,18H,4H2,1-3H3
InChIKeyFFLAGEJRTIVTNG-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.42
Rot. Bonds3

About 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one

1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one (PubChem CID 141067012) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
PubChem CID141067012
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one
SMILESCCC(=O)c1c(C2C=C(C)C=C2C)ccc2ccccc12
InChIInChI=1S/C20H20O/c1-4-19(21)20-16-8-6-5-7-15(16)9-10-17(20)18-12-13(2)11-14(18)3/h5-12,18H,4H2,1-3H3
InChIKeyFFLAGEJRTIVTNG-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067468
1-[2-(1H-inden-1-yl)naphthalen-1-yl]propan-1-one
CID 139946423
1-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]ethanone
CID 141067469
N-[[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methyl]-2,4,6-trimethylaniline
CID 154500013
phenyl-[2-(2,3,4-trimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]methanone
CID 154426487
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
bis(2-hydroxynaphthalen-1-yl)methanone
CID 68928260
1-(2-hydroxy-1H-indol-3-yl)propan-1-one
CID 15650287
naphthalen-1-ol;propanoic acid
CID 19792721
tetraethyl octacyclo[16.16.0.02,15.05,14.06,11.019,32.022,31.023,28]tetratriaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29,31,33-heptadecaene-3,4,20,21-tetracarboxylate
CID 134962471
1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
CID 102351912
ethoxycarbonyl 2-aminonaphthalene-1-carboxylate
CID 174719613

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one?
The IUPAC name of 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one (CID 141067012) is 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one is CCC(=O)c1c(C2C=C(C)C=C2C)ccc2ccccc12.
What is the InChIKey of 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one?
The InChIKey is FFLAGEJRTIVTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-4-19(21)20-16-8-6-5-7-15(16)9-10-17(20)18-12-13(2)11-14(18)3/h5-12,18H,4H2,1-3H3.
What are the key properties of 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one?
1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one has a molecular weight of 276.38 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)naphthalen-1-yl]propan-1-one is sourced from PubChem (CID 141067012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).