5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene

C26H34O6S — CID 147393811

IUPAC5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene
SMILESCOC1=CCC(OC2C=CC(S(=O)(=O)C3C=CC(OC4=CCC(OC)C=C4)CC3)CC2)C=C1
InChIInChI=1S/C26H34O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-5,7,9-11,13,15,17,20-21,23-26H,6,8,12,14,16,18H2,1-2H3
InChIKeyDNKGYCDHAVUISC-UHFFFAOYSA-N
MW474.62 g/mol
LogP4.33
Rot. Bonds8

About 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene

5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene (PubChem CID 147393811) has the molecular formula C26H34O6S and a molecular weight of 474.62 g/mol. Its IUPAC name is 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene
PubChem CID147393811
Molecular FormulaC26H34O6S
Molecular Weight474.62 g/mol
Exact Mass474.21
IUPAC Name5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene
SMILESCOC1=CCC(OC2C=CC(S(=O)(=O)C3C=CC(OC4=CCC(OC)C=C4)CC3)CC2)C=C1
InChIInChI=1S/C26H34O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-5,7,9-11,13,15,17,20-21,23-26H,6,8,12,14,16,18H2,1-2H3
InChIKeyDNKGYCDHAVUISC-UHFFFAOYSA-N
XLogP4.33
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.62
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-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-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene?
The IUPAC name of 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene (CID 147393811) is 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene.
What is the SMILES notation for 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene?
The canonical SMILES for 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene is COC1=CCC(OC2C=CC(S(=O)(=O)C3C=CC(OC4=CCC(OC)C=C4)CC3)CC2)C=C1.
What is the InChIKey of 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene?
The InChIKey is DNKGYCDHAVUISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6S/c1-29-19-3-7-21(8-4-19)31-23-11-15-25(16-12-23)33(27,28)26-17-13-24(14-18-26)32-22-9-5-20(30-2)6-10-22/h3-5,7,9-11,13,15,17,20-21,23-26H,6,8,12,14,16,18H2,1-2H3.
What are the key properties of 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene?
5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene has a molecular weight of 474.62 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[4-[4-(4-methoxycyclohexa-2,4-dien-1-yl)oxycyclohex-2-en-1-yl]sulfonylcyclohex-2-en-1-yl]oxycyclohexa-1,3-diene is sourced from PubChem (CID 147393811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).