1-(6-ethenylnaphthalen-2-yl)ethanone

C14H12O — CID 139900374

IUPAC1-(6-ethenylnaphthalen-2-yl)ethanone
SMILESC=Cc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C14H12O/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11/h3-9H,1H2,2H3
InChIKeyOLGSPWPYXIADPX-UHFFFAOYSA-N
MW196.25 g/mol
LogP3.69
Rot. Bonds2

About 1-(6-ethenylnaphthalen-2-yl)ethanone

1-(6-ethenylnaphthalen-2-yl)ethanone (PubChem CID 139900374) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(6-ethenylnaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(6-ethenylnaphthalen-2-yl)ethanone
PubChem CID139900374
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name1-(6-ethenylnaphthalen-2-yl)ethanone
SMILESC=Cc1ccc2cc(C(C)=O)ccc2c1
InChIInChI=1S/C14H12O/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11/h3-9H,1H2,2H3
InChIKeyOLGSPWPYXIADPX-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenylnaphthalen-2-yl)ethanone?
The IUPAC name of 1-(6-ethenylnaphthalen-2-yl)ethanone (CID 139900374) is 1-(6-ethenylnaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(6-ethenylnaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(6-ethenylnaphthalen-2-yl)ethanone is C=Cc1ccc2cc(C(C)=O)ccc2c1.
What is the InChIKey of 1-(6-ethenylnaphthalen-2-yl)ethanone?
The InChIKey is OLGSPWPYXIADPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-3-11-4-5-14-9-12(10(2)15)6-7-13(14)8-11/h3-9H,1H2,2H3.
What are the key properties of 1-(6-ethenylnaphthalen-2-yl)ethanone?
1-(6-ethenylnaphthalen-2-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenylnaphthalen-2-yl)ethanone is sourced from PubChem (CID 139900374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).