5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran

C14H13ClO — CID 102491221

IUPAC5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran
SMILESCc1cc(/C=C/c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H13ClO/c1-10-9-14(16-11(10)2)8-5-12-3-6-13(15)7-4-12/h3-9H,1-2H3/b8-5+
InChIKeyBCYKYIADBKXUGI-VMPITWQZSA-N
MW232.71 g/mol
LogP4.72
Rot. Bonds2

About 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran

5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran (PubChem CID 102491221) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran.

Molecular Properties

Compound Name5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran
PubChem CID102491221
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran
SMILESCc1cc(/C=C/c2ccc(Cl)cc2)oc1C
InChIInChI=1S/C14H13ClO/c1-10-9-14(16-11(10)2)8-5-12-3-6-13(15)7-4-12/h3-9H,1-2H3/b8-5+
InChIKeyBCYKYIADBKXUGI-VMPITWQZSA-N
XLogP4.72
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran?
The IUPAC name of 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran (CID 102491221) is 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran.
What is the SMILES notation for 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran?
The canonical SMILES for 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran is Cc1cc(/C=C/c2ccc(Cl)cc2)oc1C.
What is the InChIKey of 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran?
The InChIKey is BCYKYIADBKXUGI-VMPITWQZSA-N. The full InChI is InChI=1S/C14H13ClO/c1-10-9-14(16-11(10)2)8-5-12-3-6-13(15)7-4-12/h3-9H,1-2H3/b8-5+.
What are the key properties of 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran?
5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran has a molecular weight of 232.71 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran is sourced from PubChem (CID 102491221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).