5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one

C13H10O2 — CID 145294861

IUPAC5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one
SMILESC=Cc1ccc(O)c2c1C(=C)C=CC2=O
InChIInChI=1S/C13H10O2/c1-3-9-5-7-11(15)13-10(14)6-4-8(2)12(9)13/h3-7,15H,1-2H2
InChIKeyGNYLHDVHCXQIRQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.80
Rot. Bonds1

About 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one

5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one (PubChem CID 145294861) has the molecular formula C13H10O2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one.

Molecular Properties

Compound Name5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one
PubChem CID145294861
Molecular FormulaC13H10O2
Molecular Weight198.22 g/mol
Exact Mass198.07
IUPAC Name5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one
SMILESC=Cc1ccc(O)c2c1C(=C)C=CC2=O
InChIInChI=1S/C13H10O2/c1-3-9-5-7-11(15)13-10(14)6-4-8(2)12(9)13/h3-7,15H,1-2H2
InChIKeyGNYLHDVHCXQIRQ-UHFFFAOYSA-N
XLogP2.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one?
The IUPAC name of 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one (CID 145294861) is 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one.
What is the SMILES notation for 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one?
The canonical SMILES for 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one is C=Cc1ccc(O)c2c1C(=C)C=CC2=O.
What is the InChIKey of 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one?
The InChIKey is GNYLHDVHCXQIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O2/c1-3-9-5-7-11(15)13-10(14)6-4-8(2)12(9)13/h3-7,15H,1-2H2.
What are the key properties of 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one?
5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-8-hydroxy-4-methylidenenaphthalen-1-one is sourced from PubChem (CID 145294861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).