1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone

C19H16O — CID 81432897

IUPAC1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C19H16O/c1-13-10-11-15-6-3-4-9-18(15)19(13)17-8-5-7-16(12-17)14(2)20/h3-12H,1-2H3
InChIKeyMRDAOHQIFJMKFE-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.02
Rot. Bonds2

About 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone

1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone (PubChem CID 81432897) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
PubChem CID81432897
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone
SMILESCC(=O)c1cccc(-c2c(C)ccc3ccccc23)c1
InChIInChI=1S/C19H16O/c1-13-10-11-15-6-3-4-9-18(15)19(13)17-8-5-7-16(12-17)14(2)20/h3-12H,1-2H3
InChIKeyMRDAOHQIFJMKFE-UHFFFAOYSA-N
XLogP5.02
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone (CID 81432897) is 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone is CC(=O)c1cccc(-c2c(C)ccc3ccccc23)c1.
What is the InChIKey of 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone?
The InChIKey is MRDAOHQIFJMKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-13-10-11-15-6-3-4-9-18(15)19(13)17-8-5-7-16(12-17)14(2)20/h3-12H,1-2H3.
What are the key properties of 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone?
1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone has a molecular weight of 260.34 g/mol, XLogP of 5.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylnaphthalen-1-yl)phenyl]ethanone is sourced from PubChem (CID 81432897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).