1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one

C22H20O2 — CID 102351912

IUPAC1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
SMILESCCC(=O)c1cc2ccccc2c(-c2ccccc2)c1C(=O)CC
InChIInChI=1S/C22H20O2/c1-3-19(23)18-14-16-12-8-9-13-17(16)21(22(18)20(24)4-2)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyYFTWHIQOUDXLNN-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.69
Rot. Bonds5

About 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one

1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one (PubChem CID 102351912) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
PubChem CID102351912
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one
SMILESCCC(=O)c1cc2ccccc2c(-c2ccccc2)c1C(=O)CC
InChIInChI=1S/C22H20O2/c1-3-19(23)18-14-16-12-8-9-13-17(16)21(22(18)20(24)4-2)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3
InChIKeyYFTWHIQOUDXLNN-UHFFFAOYSA-N
XLogP5.69
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-methyl-4-phenylnaphthalene-2-carboxamide
CID 11783108
N-(4-anthracen-9-ylphenyl)propanamide
CID 168954302
3-hydroxy-4-phenylnaphthalene-2-carboxamide
CID 20573935
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
3-hydroxy-4-[2-(methylamino)naphthalen-1-yl]naphthalene-2-carboxylic acid
CID 11810055
ethane;3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-2-carboxylic acid
CID 160574931
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
1-(1-propanoylpyrrolo[2,1-a]isoquinolin-3-yl)propan-1-one
CID 164946208
1-(2,4-diphenylphenyl)propan-1-one
CID 151246876
N-[1-(2-acetamido-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-yl]acetamide
CID 102425196
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one?
The IUPAC name of 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one (CID 102351912) is 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one.
What is the SMILES notation for 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one?
The canonical SMILES for 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one is CCC(=O)c1cc2ccccc2c(-c2ccccc2)c1C(=O)CC.
What is the InChIKey of 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one?
The InChIKey is YFTWHIQOUDXLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-3-19(23)18-14-16-12-8-9-13-17(16)21(22(18)20(24)4-2)15-10-6-5-7-11-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one?
1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one has a molecular weight of 316.40 g/mol, XLogP of 5.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-3-propanoylnaphthalen-2-yl)propan-1-one is sourced from PubChem (CID 102351912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).