1-(3-chlorophenyl)-2-naphthalen-2-ylethanone

C18H13ClO — CID 63528199

IUPAC1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClO/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2
InChIKeyXYXKCWFQNRCZLB-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.92
Rot. Bonds3

About 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone

1-(3-chlorophenyl)-2-naphthalen-2-ylethanone (PubChem CID 63528199) has the molecular formula C18H13ClO and a molecular weight of 280.75 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
PubChem CID63528199
Molecular FormulaC18H13ClO
Molecular Weight280.75 g/mol
Exact Mass280.07
IUPAC Name1-(3-chlorophenyl)-2-naphthalen-2-ylethanone
SMILESO=C(Cc1ccc2ccccc2c1)c1cccc(Cl)c1
InChIInChI=1S/C18H13ClO/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2
InChIKeyXYXKCWFQNRCZLB-UHFFFAOYSA-N
XLogP4.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862
2-(4-aminophenyl)-1-(3-chlorophenyl)ethanone
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1-(2,4-dichlorophenyl)-2-naphthalen-2-ylethanone
CID 63528200
1-(3-chlorophenyl)-2-naphthalen-2-ylsulfanylethanone
CID 43411868
1-(4-chlorophenyl)-3-naphthalen-2-ylpropan-2-one
CID 90865264
1-(3-chlorophenyl)-3-naphthalen-2-ylpropan-2-ol
CID 105076762
2-(benzenesulfinyl)-1-(3-chlorophenyl)ethanone
CID 64636282
1-(5-chlorothiophen-2-yl)-2-naphthalen-2-ylethanone
CID 55225077
2-(chloroamino)-1-(3-chlorophenyl)ethanone
CID 126496293
1-(3-chlorophenyl)-3-(4-fluorophenyl)propan-1-one
CID 24726182
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
sodium 2-naphthalen-2-ylacetate
CID 23688045

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone (CID 63528199) is 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone is O=C(Cc1ccc2ccccc2c1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone?
The InChIKey is XYXKCWFQNRCZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO/c19-17-7-3-6-16(12-17)18(20)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-10,12H,11H2.
What are the key properties of 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone?
1-(3-chlorophenyl)-2-naphthalen-2-ylethanone has a molecular weight of 280.75 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-naphthalen-2-ylethanone is sourced from PubChem (CID 63528199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).