6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one

C18H20O3 — CID 132575137

IUPAC6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCCCCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)13-18(19)21-16/h6-13H,3-5H2,1-2H3/b11-10+
InChIKeyFMHOBDJYIVMCEQ-ZHACJKMWSA-N
MW284.36 g/mol
LogP4.16
Rot. Bonds6

About 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one

6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one (PubChem CID 132575137) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one.

Molecular Properties

Compound Name6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one
PubChem CID132575137
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one
SMILESCCCCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1
InChIInChI=1S/C18H20O3/c1-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)13-18(19)21-16/h6-13H,3-5H2,1-2H3/b11-10+
InChIKeyFMHOBDJYIVMCEQ-ZHACJKMWSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(+)-Kavain
CID 5281565
Methyl Cinnamate
CID 637520
Ethyl Cinnamate
CID 637758
Dihydrokavain
CID 10220256
Desmethoxyyangonin
CID 5273621
Linalyl cinnamate
CID 5355858
Isobutyl Cinnamate
CID 778574
Cinnamyl cinnamate
CID 1550890
Propyl Cinnamate
CID 5270647
Isopropyl Cinnamate
CID 5273464
Butyl Cinnamate
CID 5273465
Marindinin
CID 98356

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one?
The IUPAC name of 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one (CID 132575137) is 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one.
What is the SMILES notation for 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one?
The canonical SMILES for 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one is CCCCc1ccc(/C=C/c2cc(OC)cc(=O)o2)cc1.
What is the InChIKey of 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one?
The InChIKey is FMHOBDJYIVMCEQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H20O3/c1-3-4-5-14-6-8-15(9-7-14)10-11-16-12-17(20-2)13-18(19)21-16/h6-13H,3-5H2,1-2H3/b11-10+.
What are the key properties of 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one?
6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one has a molecular weight of 284.36 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4-butylphenyl)ethenyl]-4-methoxypyran-2-one is sourced from PubChem (CID 132575137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).