4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one

C19H18O3 — CID 129076880

IUPAC4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one
SMILESC=Cc1cccc2c(COC3=C(C)C(C)OC3=O)cccc12
InChIInChI=1S/C19H18O3/c1-4-14-7-5-10-17-15(8-6-9-16(14)17)11-21-18-12(2)13(3)22-19(18)20/h4-10,13H,1,11H2,2-3H3
InChIKeyXFIAGKQZYKLQOX-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.22
Rot. Bonds4

About 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one

4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one (PubChem CID 129076880) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one
PubChem CID129076880
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one
SMILESC=Cc1cccc2c(COC3=C(C)C(C)OC3=O)cccc12
InChIInChI=1S/C19H18O3/c1-4-14-7-5-10-17-15(8-6-9-16(14)17)11-21-18-12(2)13(3)22-19(18)20/h4-10,13H,1,11H2,2-3H3
InChIKeyXFIAGKQZYKLQOX-UHFFFAOYSA-N
XLogP4.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one?
The IUPAC name of 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one (CID 129076880) is 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one.
What is the SMILES notation for 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one?
The canonical SMILES for 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one is C=Cc1cccc2c(COC3=C(C)C(C)OC3=O)cccc12.
What is the InChIKey of 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one?
The InChIKey is XFIAGKQZYKLQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-14-7-5-10-17-15(8-6-9-16(14)17)11-21-18-12(2)13(3)22-19(18)20/h4-10,13H,1,11H2,2-3H3.
What are the key properties of 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one?
4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one has a molecular weight of 294.35 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethenylnaphthalen-1-yl)methoxy]-2,3-dimethyl-2H-furan-5-one is sourced from PubChem (CID 129076880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).