1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one

C20H18O — CID 82185648

IUPAC1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18O/c1-15-9-11-18(12-10-15)20(21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12H,13-14H2,1H3
InChIKeyFMNSIZFCRYGTRW-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.96
Rot. Bonds4

About 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one

1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one (PubChem CID 82185648) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
PubChem CID82185648
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
SMILESCc1ccc(C(=O)CCc2cccc3ccccc23)cc1
InChIInChI=1S/C20H18O/c1-15-9-11-18(12-10-15)20(21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12H,13-14H2,1H3
InChIKeyFMNSIZFCRYGTRW-UHFFFAOYSA-N
XLogP4.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1-methoxynaphthalen-2-yl)-1-phenylpropan-1-one
CID 14472243
3-(2-hydroxy-5-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 102344252
3-(3-methylphenyl)-1-(4-methylphenyl)propan-1-one
CID 24725664
3-(2-methylphenyl)-1-naphthalen-2-ylpropan-1-one
CID 105094898
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
1-(1-hydroxynaphthalen-2-yl)-3-(4-methylphenyl)propane-1,3-dione
CID 939829
1-(4-methylphenyl)-3-(2,3,4,5,6-pentafluorophenyl)propan-1-one
CID 162409528

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one?
The IUPAC name of 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one (CID 82185648) is 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one.
What is the SMILES notation for 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one?
The canonical SMILES for 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one is Cc1ccc(C(=O)CCc2cccc3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one?
The InChIKey is FMNSIZFCRYGTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-15-9-11-18(12-10-15)20(21)14-13-17-7-4-6-16-5-2-3-8-19(16)17/h2-12H,13-14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one?
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one has a molecular weight of 274.36 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one is sourced from PubChem (CID 82185648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).