3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one

C20H20O — CID 174473380

IUPAC3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one
SMILESCC1=CC(C)=C(CCC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H20O/c1-14-11-15(2)17(12-14)9-10-20(21)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyADECGXHXPVJIDC-UHFFFAOYSA-N
MW276.38 g/mol
LogP5.47
Rot. Bonds4

About 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one

3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one (PubChem CID 174473380) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one
PubChem CID174473380
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one
SMILESCC1=CC(C)=C(CCC(=O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C20H20O/c1-14-11-15(2)17(12-14)9-10-20(21)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,11,13H,9-10,12H2,1-2H3
InChIKeyADECGXHXPVJIDC-UHFFFAOYSA-N
XLogP5.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.38
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-dinaphthalen-2-ylbutane-1,4-dione
CID 593323
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
7-hydroxy-1-naphthalen-2-ylheptan-1-one
CID 142086733
8-hydroxy-1-naphthalen-2-yloctan-1-one
CID 23072385
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
1-(6-butanoylnaphthalen-2-yl)butan-1-one
CID 170450514
2-(2-methoxyethyl)-3-methyl-6-naphthalen-2-yl-6-oxohex-2-enal
CID 139608738
3-amino-1-(6-methylnaphthalen-2-yl)propan-1-one
CID 116915436
3-morpholin-4-yl-1-naphthalen-2-ylpropan-1-one
CID 2807050
N-(2-aminophenyl)-4-(3-naphthalen-2-yl-3-oxopropyl)benzamide
CID 160785018
2-tert-butylsulfanyl-1-naphthalen-2-ylethanone
CID 60645601
triethyl-(2-naphthalen-2-yl-2-oxoethyl)azanium
CID 130452133

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one?
The IUPAC name of 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one (CID 174473380) is 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one.
What is the SMILES notation for 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one?
The canonical SMILES for 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one is CC1=CC(C)=C(CCC(=O)c2ccc3ccccc3c2)C1.
What is the InChIKey of 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one?
The InChIKey is ADECGXHXPVJIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-14-11-15(2)17(12-14)9-10-20(21)19-8-7-16-5-3-4-6-18(16)13-19/h3-8,11,13H,9-10,12H2,1-2H3.
What are the key properties of 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one?
3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one has a molecular weight of 276.38 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylcyclopenta-1,3-dien-1-yl)-1-naphthalen-2-ylpropan-1-one is sourced from PubChem (CID 174473380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).