(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one

C12H12O3 — CID 15722634

IUPAC(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
SMILESCOc1ccc(/C=C2\CCC(=O)O2)cc1
InChIInChI=1S/C12H12O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,8H,6-7H2,1H3/b11-8+
InChIKeyLGBRIDRRZZVUML-DHZHZOJOSA-N
MW204.22 g/mol
LogP2.37
Rot. Bonds2

About (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one

(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one (PubChem CID 15722634) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one.

Molecular Properties

Compound Name(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
PubChem CID15722634
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one
SMILESCOc1ccc(/C=C2\CCC(=O)O2)cc1
InChIInChI=1S/C12H12O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,8H,6-7H2,1H3/b11-8+
InChIKeyLGBRIDRRZZVUML-DHZHZOJOSA-N
XLogP2.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8E)-8-[(4-methoxyphenyl)methylidene]oxocan-2-one
CID 10243649
(2Z)-2-[(4-methoxyphenyl)methylidene]-5-trimethylsilylcyclohexan-1-one
CID 68642876
2-[(4-methoxyphenyl)methylidene]-5-methylidenecyclopentan-1-one
CID 67064867
2-[(4-methoxyphenyl)methylidene]-1λ6,3λ6-benzodithiole 1,1,3,3-tetraoxide
CID 139083181
4-[(4-methoxyphenyl)methylidene]isochromene-1,3-dione
CID 3102747
(5Z)-4-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylidene]furan-2-one
CID 11587605
4-[(4-methoxyphenyl)methylidene]piperidine
CID 20811455
2-[(4-methoxyphenyl)methylidene]thietan-3-one
CID 131881209
5-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 3120316
6-(4-methoxyphenyl)-3,4-dihydropyran-2-one
CID 11183315
3-[(4-methoxyphenyl)methylidene]furan-2-one
CID 20980047
(3E)-3-[(2,4-dimethoxyphenyl)methylidene]oxane-2,6-dione
CID 82159960

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one?
The IUPAC name of (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one (CID 15722634) is (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one.
What is the SMILES notation for (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one?
The canonical SMILES for (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one is COc1ccc(/C=C2\CCC(=O)O2)cc1.
What is the InChIKey of (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one?
The InChIKey is LGBRIDRRZZVUML-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H12O3/c1-14-10-4-2-9(3-5-10)8-11-6-7-12(13)15-11/h2-5,8H,6-7H2,1H3/b11-8+.
What are the key properties of (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one?
(5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one has a molecular weight of 204.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-methoxyphenyl)methylidene]oxolan-2-one is sourced from PubChem (CID 15722634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).