3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan

C14H13ClO — CID 135003111

IUPAC3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan
SMILESCCc1oc(/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClO/c1-2-14-13(15)10-12(16-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+
InChIKeyXQBAVMHNSQGATI-CMDGGOBGSA-N
MW232.71 g/mol
LogP4.67
Rot. Bonds3

About 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan

3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan (PubChem CID 135003111) has the molecular formula C14H13ClO and a molecular weight of 232.71 g/mol. Its IUPAC name is 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan.

Molecular Properties

Compound Name3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan
PubChem CID135003111
Molecular FormulaC14H13ClO
Molecular Weight232.71 g/mol
Exact Mass232.07
IUPAC Name3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan
SMILESCCc1oc(/C=C/c2ccccc2)cc1Cl
InChIInChI=1S/C14H13ClO/c1-2-14-13(15)10-12(16-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+
InChIKeyXQBAVMHNSQGATI-CMDGGOBGSA-N
XLogP4.67
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan?
The IUPAC name of 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan (CID 135003111) is 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan.
What is the SMILES notation for 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan?
The canonical SMILES for 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan is CCc1oc(/C=C/c2ccccc2)cc1Cl.
What is the InChIKey of 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan?
The InChIKey is XQBAVMHNSQGATI-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H13ClO/c1-2-14-13(15)10-12(16-14)9-8-11-6-4-3-5-7-11/h3-10H,2H2,1H3/b9-8+.
What are the key properties of 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan?
3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan has a molecular weight of 232.71 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan is sourced from PubChem (CID 135003111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).