6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one

C61H60O11 — CID 157059984

IUPAC6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one
SMILESCC1=CC(=O)OC(/C=C/c2ccc(C)cc2)C1.COc1cc(C)ccc1/C=C/c1cc(C)cc(=O)o1.Cc1cc(/C=C/c2ccc3c(c2)OCO3)oc(=O)c1.Cc1ccc(CCc2cc(C)cc(=O)o2)cc1
InChIInChI=1S/C16H16O3.C15H12O4.2C15H16O2/c1-11-4-5-13(15(9-11)18-3)6-7-14-8-12(2)10-16(17)19-14;1-10-6-12(19-15(16)7-10)4-2-11-3-5-13-14(8-11)18-9-17-13;2*1-11-3-5-13(6-4-11)7-8-14-9-12(2)10-15(16)17-14/h4-10H,1-3H3;2-8H,9H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-8,10,14H,9H2,1-2H3/b7-6+;4-2+;;8-7+
InChIKeyABFJHNLWCLVLPE-CQHPKXSXSA-N
MW969.14 g/mol
LogP12.59
Rot. Bonds10

About 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one

6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one (PubChem CID 157059984) has the molecular formula C61H60O11 and a molecular weight of 969.14 g/mol. Its IUPAC name is 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one.

Molecular Properties

Compound Name6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one
PubChem CID157059984
Molecular FormulaC61H60O11
Molecular Weight969.14 g/mol
Exact Mass968.41
IUPAC Name6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one
SMILESCC1=CC(=O)OC(/C=C/c2ccc(C)cc2)C1.COc1cc(C)ccc1/C=C/c1cc(C)cc(=O)o1.Cc1cc(/C=C/c2ccc3c(c2)OCO3)oc(=O)c1.Cc1ccc(CCc2cc(C)cc(=O)o2)cc1
InChIInChI=1S/C16H16O3.C15H12O4.2C15H16O2/c1-11-4-5-13(15(9-11)18-3)6-7-14-8-12(2)10-16(17)19-14;1-10-6-12(19-15(16)7-10)4-2-11-3-5-13-14(8-11)18-9-17-13;2*1-11-3-5-13(6-4-11)7-8-14-9-12(2)10-15(16)17-14/h4-10H,1-3H3;2-8H,9H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-8,10,14H,9H2,1-2H3/b7-6+;4-2+;;8-7+
InChIKeyABFJHNLWCLVLPE-CQHPKXSXSA-N
XLogP12.59
TPSA144.62 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500969.14
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one?
The IUPAC name of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one (CID 157059984) is 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one.
What is the SMILES notation for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one?
The canonical SMILES for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one is CC1=CC(=O)OC(/C=C/c2ccc(C)cc2)C1.COc1cc(C)ccc1/C=C/c1cc(C)cc(=O)o1.Cc1cc(/C=C/c2ccc3c(c2)OCO3)oc(=O)c1.Cc1ccc(CCc2cc(C)cc(=O)o2)cc1.
What is the InChIKey of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one?
The InChIKey is ABFJHNLWCLVLPE-CQHPKXSXSA-N. The full InChI is InChI=1S/C16H16O3.C15H12O4.2C15H16O2/c1-11-4-5-13(15(9-11)18-3)6-7-14-8-12(2)10-16(17)19-14;1-10-6-12(19-15(16)7-10)4-2-11-3-5-13-14(8-11)18-9-17-13;2*1-11-3-5-13(6-4-11)7-8-14-9-12(2)10-15(16)17-14/h4-10H,1-3H3;2-8H,9H2,1H3;3-6,9-10H,7-8H2,1-2H3;3-8,10,14H,9H2,1-2H3/b7-6+;4-2+;;8-7+.
What are the key properties of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one?
6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one has a molecular weight of 969.14 g/mol, XLogP of 12.59, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methylpyran-2-one;6-[(E)-2-(2-methoxy-4-methylphenyl)ethenyl]-4-methylpyran-2-one;4-methyl-2-[(E)-2-(4-methylphenyl)ethenyl]-2,3-dihydropyran-6-one;4-methyl-6-[2-(4-methylphenyl)ethyl]pyran-2-one is sourced from PubChem (CID 157059984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).