1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone

C19H16O2 — CID 61033105

IUPAC1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2ccccc12
InChIInChI=1S/C19H16O2/c1-13(20)14-6-5-7-15(12-14)16-10-11-19(21-2)18-9-4-3-8-17(16)18/h3-12H,1-2H3
InChIKeyORUFWCXHDZOAPY-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.72
Rot. Bonds3

About 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone

1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone (PubChem CID 61033105) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
PubChem CID61033105
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
SMILESCOc1ccc(-c2cccc(C(C)=O)c2)c2ccccc12
InChIInChI=1S/C19H16O2/c1-13(20)14-6-5-7-15(12-14)16-10-11-19(21-2)18-9-4-3-8-17(16)18/h3-12H,1-2H3
InChIKeyORUFWCXHDZOAPY-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
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3-(2-methoxyphenyl)benzoic acid
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2-(3-acetylphenyl)benzoic acid
CID 2756265
1-[3-(3-methoxy-2-pyrazol-1-ylphenyl)phenyl]ethanone
CID 102031809
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
2-(2-thiophen-2-ylphenyl)-1-[3-(2,3,4-trimethoxyphenyl)phenyl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone (CID 61033105) is 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone is COc1ccc(-c2cccc(C(C)=O)c2)c2ccccc12.
What is the InChIKey of 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone?
The InChIKey is ORUFWCXHDZOAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-13(20)14-6-5-7-15(12-14)16-10-11-19(21-2)18-9-4-3-8-17(16)18/h3-12H,1-2H3.
What are the key properties of 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone?
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone is sourced from PubChem (CID 61033105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).