(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one

C15H18O3 — CID 10243649

IUPAC(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
SMILESCOc1ccc(/C=C2\CCCCCC(=O)O2)cc1
InChIInChI=1S/C15H18O3/c1-17-13-9-7-12(8-10-13)11-14-5-3-2-4-6-15(16)18-14/h7-11H,2-6H2,1H3/b14-11+
InChIKeyBTKPJXPBDIUQPY-SDNWHVSQSA-N
MW246.31 g/mol
LogP3.54
Rot. Bonds2

About (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one

(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one (PubChem CID 10243649) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one.

Molecular Properties

Compound Name(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
PubChem CID10243649
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
SMILESCOc1ccc(/C=C2\CCCCCC(=O)O2)cc1
InChIInChI=1S/C15H18O3/c1-17-13-9-7-12(8-10-13)11-14-5-3-2-4-6-15(16)18-14/h7-11H,2-6H2,1H3/b14-11+
InChIKeyBTKPJXPBDIUQPY-SDNWHVSQSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
CID 15722634
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
CID 11183315
(4Z)-2-cyclohexyl-4-[(4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 818189
2-[(4-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 5078039
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
CID 68642876
2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one
CID 619835
2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
2-[(4-methoxyphenyl)methylidene]-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 139083181
(2E,6Z)-2-[(4-methoxyphenyl)methylidene]-6-[(4-phenylphenyl)methylidene]cyclohexan-1-one
CID 2313566
(2Z)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7-(piperidin-1-ium-1-ylmethyl)-1-benzofuran-6-olate
CID 30482350
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605

Frequently Asked Questions

What is the IUPAC name of (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one?
The IUPAC name of (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one (CID 10243649) is (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one.
What is the SMILES notation for (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one?
The canonical SMILES for (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one is COc1ccc(/C=C2\CCCCCC(=O)O2)cc1.
What is the InChIKey of (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one?
The InChIKey is BTKPJXPBDIUQPY-SDNWHVSQSA-N. The full InChI is InChI=1S/C15H18O3/c1-17-13-9-7-12(8-10-13)11-14-5-3-2-4-6-15(16)18-14/h7-11H,2-6H2,1H3/b14-11+.
What are the key properties of (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one?
(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one has a molecular weight of 246.31 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one is sourced from PubChem (CID 10243649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).