2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene

C21H24O2 — CID 170351002

IUPAC2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(/C=C/c2ccccc2)cc(OC)c1C1CCCC1
InChIInChI=1S/C21H24O2/c1-22-19-14-17(13-12-16-8-4-3-5-9-16)15-20(23-2)21(19)18-10-6-7-11-18/h3-5,8-9,12-15,18H,6-7,10-11H2,1-2H3/b13-12+
InChIKeyKJSXHQHEMQXTLP-OUKQBFOZSA-N
MW308.42 g/mol
LogP5.53
Rot. Bonds5

About 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene

2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene (PubChem CID 170351002) has the molecular formula C21H24O2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene.

Molecular Properties

Compound Name2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
PubChem CID170351002
Molecular FormulaC21H24O2
Molecular Weight308.42 g/mol
Exact Mass308.18
IUPAC Name2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene
SMILESCOc1cc(/C=C/c2ccccc2)cc(OC)c1C1CCCC1
InChIInChI=1S/C21H24O2/c1-22-19-14-17(13-12-16-8-4-3-5-9-16)15-20(23-2)21(19)18-10-6-7-11-18/h3-5,8-9,12-15,18H,6-7,10-11H2,1-2H3/b13-12+
InChIKeyKJSXHQHEMQXTLP-OUKQBFOZSA-N
XLogP5.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.42
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The IUPAC name of 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene (CID 170351002) is 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene.
What is the SMILES notation for 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The canonical SMILES for 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene is COc1cc(/C=C/c2ccccc2)cc(OC)c1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
The InChIKey is KJSXHQHEMQXTLP-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24O2/c1-22-19-14-17(13-12-16-8-4-3-5-9-16)15-20(23-2)21(19)18-10-6-7-11-18/h3-5,8-9,12-15,18H,6-7,10-11H2,1-2H3/b13-12+.
What are the key properties of 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene?
2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene has a molecular weight of 308.42 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1,3-dimethoxy-5-[(E)-2-phenylethenyl]benzene is sourced from PubChem (CID 170351002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).