5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene

C17H20O2 — CID 139881236

IUPAC5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene
SMILESC=CC1(OCc2ccccc2)C=CC(OCC)=CC1
InChIInChI=1S/C17H20O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,5-12H,1,4,13-14H2,2H3
InChIKeyFABHGEVGAZQRHM-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.01
Rot. Bonds6

About 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene

5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene (PubChem CID 139881236) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene
PubChem CID139881236
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene
SMILESC=CC1(OCc2ccccc2)C=CC(OCC)=CC1
InChIInChI=1S/C17H20O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,5-12H,1,4,13-14H2,2H3
InChIKeyFABHGEVGAZQRHM-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene?
The IUPAC name of 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene (CID 139881236) is 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene?
The canonical SMILES for 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene is C=CC1(OCc2ccccc2)C=CC(OCC)=CC1.
What is the InChIKey of 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene?
The InChIKey is FABHGEVGAZQRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-17(12-10-16(11-13-17)18-4-2)19-14-15-8-6-5-7-9-15/h3,5-12H,1,4,13-14H2,2H3.
What are the key properties of 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene?
5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene has a molecular weight of 256.34 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-ethoxy-5-phenylmethoxycyclohexa-1,3-diene is sourced from PubChem (CID 139881236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).